Che cos'è Ethylene Carbonate?

Ethylene Carbonate (CAS 96-49-1) è un composto chimico con formula bruta C3H4O3 e massa molare 88.06 g/mol. Dati chimici da PubChem (National Institutes of Health, USA).

Qual è il numero CAS di Ethylene Carbonate?

Il numero CAS (Chemical Abstracts Service) di Ethylene Carbonate è 96-49-1.

Qual è la formula chimica di Ethylene Carbonate?

La formula bruta di Ethylene Carbonate è C3H4O3. Nome IUPAC: 1,3-dioxolan-2-one.

Dove acquistare Ethylene Carbonate (CAS 96-49-1)?

Ethylene Carbonate (CAS 96-49-1) è disponibile nel negozio Eapearl Chemical: https://epchems.online/products/ethylene-carbonate/. Le informazioni aggiornate su prezzo e disponibilità sono nella pagina del prodotto.

Ethylene Carbonate

CAS 96-49-1 EC 202-510-3 C3H4O3 Ester

📄 Scarica la Scheda di Dati di Sicurezza (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v1 · 23.09.2026

Specification

Product Name	Ethylene Carbonate
Other Names	EC
CAS No.	96-49-1
EINECS No.	202-510-3
MF	C3H4O3
Molecular weight	88.06
Purity	99.50%
Appearance	Colorless transparent liquid
Density	1.321 g/mL at 20 °C
Melting point	36-38°C
Boiling point	248°C
Flashing point	143 °C

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Packaging and shipping

Drum200 kg

IBC Drum1000 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Ethylene Carbonate (EC, CAS 96-49-1) is a high-purity polar solvent with excellent stability, high dielectric constant, and good solubility. It is a colorless transparent substance that exists as crystals at room temperature and turns into liquid when heated. With molecular formula C₃H₄O₃ and molecular weight 88.06, it shows strong compatibility with other carbonate solvents. Our EC is mainly supplied as battery grade with strict quality control, low moisture and impurity content, and stable performance. It is widely used in lithium-ion battery electrolytes, chemical synthesis, and polymer production. As a key raw material in the new energy industry, it ensures high safety and stable performance in various applications.

Ethylene Carbonate (EC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & reliable quality

Product Description

Ethylene Carbonate (EC, CAS 96-49-1) is an important high-purity organic solvent widely used in the lithium-ion battery industry.

It has a high dielectric constant, good chemical stability, and strong solubility, making it an essential component in battery electrolytes.

It appears as a colorless transparent crystal at room temperature and melts into liquid at low heating temperatures. Our EC is produced as battery grade with purity over 99.90%, strict control of moisture, metal ions, and other impurities,

ensuring stable and consistent quality for industrial use.

EC is mainly used in lithium-ion battery electrolytes, usually mixed with solvents such as DMC, EMC, and DEC to improve ionic conductivity, form stable SEI films, and enhance battery safety, cycle life, and low-temperature performance.

It is also applied in chemical synthesis, polymer manufacturing, and textile processing as a mild and efficient solvent. In usage, EC is melted and blended evenly with other solvents under dry and sealed conditions to avoid moisture absorption.

It is widely applied in consumer electronics, new energy vehicles, and energy storage systems. With high safety and stable performance, EC has become an indispensable basic material in modern energy and chemical industries.

Ethylene Carbonate (EC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & reliable quality

Delivery&Payment method

Ethylene Carbonate (EC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & reliable quality

Frequently asked

In what packaging is Ethylene Carbonate shipped?

Standard formats are Drum (200 kg), IBC Drum (1000 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Ethylene Carbonate?

Yes, on request. Safety data sheets are issued per grade and destination market; state the country of import in your inquiry.

What purity do you supply?

The standard grade is 99.50%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Ethylene Carbonate

Ethylene carbonate: two buyers, one drum

Ethylene carbonate (CAS 96-49-1) serves battery formulators who read water and metals, and synthesis users who read assay…

Article

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🧬 Visualizzatore di molecole 3D

Dati trascritti da registri normativi e letteratura tecnica, con indicazione della fonte e dell'edizione. Non sostituiscono la scheda di dati di sicurezza del fornitore. I campi privi di fonte registrata sono contrassegnati come tali.

📊 Dati chimico-fisici — CAS 96-49-1MolGod_PROPHUB_MAIN

📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C₃H₄O₃

MW: 88.06 g/mol

CAS: 96-49-1

🔬 Proprietà avanzate

Identificatori chimici

SMILES: C1COC(=O)O1

Ultimo aggiornamento: 2026-09-21

Proprietà	Valore	Unità	Conditions	Source
Punto di fusione	36.4 ^[1]^[2]	°C	1 atm	PubChem PUG-View (2026)
Punto di ebollizione	248 ^[1]	°C		PubChem PUG-View (2026)
Solubilità in acqua	miscible ^[1]	—	qualitative description (no numerical value)	PubChem PUG-View (2026)
logP (ottanolo/acqua)	0.3 ^[1]	—		PubChem PUG-View (2026)

Panoramica chimica: Ethylene carbonateMolGod_OVERVIEW_1

Formula molecolare	C₃H₄O₃^[1]
Peso molecolare	88.06 g/mol^[1]
Punto di fusione	36.4 °C^[1]^[2]
Punto di ebollizione	248 °C^[1]
LogP (lipofilia)	0.3^[1]
Nome IUPAC	1,3-dioxolan-2-one^[1]
SMILES	`C1COC(=O)O1`^[1]
InChIKey	`KMTRUDSVKNLOMY-UHFFFAOYSA-N`^[1]

Sinonimi: Ethylene carbonate · 1,3-DIOXOLAN-2-ONE · 96-49-1 · Glycol carbonate · Ethylene glycol carbonate

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-09-21

📚 Riferimenti scientifici (Chicago Author-Date) (2 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Formula molecolare · Peso molecolare · Punto di fusione · Punto di ebollizione · LogP (lipofilia) · Nome IUPAC · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Punto di fusione

RICERCA SCIENTIFICA

[1]Europe PMC2025

Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.

et al.. (2025). "Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.". https://doi.org/10.

[2]PubMed2025

On the use of ethylene carbonate as a green solvent in mobile phases.

Berthod A, Armstrong DW. (2025). "On the use of ethylene carbonate as a green solvent in mobile phases.". Journal of chromatography. A. https://doi.org/10.1016/j.chroma.2025.466259

[3]PubMed2023

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).

Radan K, Forero-Saboya J, Ponrouch A et al.. (2023). "Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).". IUCrData. https://doi.org/10.1107/S2414314623000627

[4]Europe PMC2023

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).

et al.. (2023). "Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).". https://doi.org/10.1107/s2414314623000627

[5]PubMed2022

Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.

Eilmes A, Kubisiak P, Wróbel P. (2022). "Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.". International journal of molecular

[6]PubMed2022

Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.

Wang Z, Yu K, Zhao Y et al.. (2022). "Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.". Spectrochimica acta. Part A, Molecular and biomolecular spec

[7]Europe PMC2017

Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.

(2017). "Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.". https://doi.org/10.1107/s2056989017009318

[8]Doaj2017

Crystal structure of (−)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one

Keyla F. Morales-Rivera, Dalice M. Piñero Cruz, Jose A. Prieto. (2017). "Crystal structure of (−)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one". Acta Crystallographica Sect

📚 Riferimenti scientifici (Chicago Author-Date) 15 refs · 4 baz

MOLECULE Bibliografia per-CAS (live da 13+ banche dati)

Fonti: db:Europe PMC (4) · db:pubmed (5) · db:doaj (1) · db:crossref (5)

db:Europe PMC et al.. (2025). "Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.". https://doi.org/10.1021/acs.orglett.5c00556 →
db:pubmed Berthod A, Armstrong DW. (2025). "On the use of ethylene carbonate as a green solvent in mobile phases.". Journal of chromatography. A. https://doi.org/10.1016/j.chroma.2025.466259 →
db:pubmed Radan K, Forero-Saboya J, Ponrouch A et al.. (2023). "Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).". IUCrData. https://doi.org/10.1107/S2414314623000627 →
db:pubmed Eilmes A, Kubisiak P, Wróbel P. (2022). "Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.". International journal of molecular sciences. https://doi.org/10.3390/ijms232415590 →
db:pubmed Wang Z, Yu K, Zhao Y et al.. (2022). "Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.". Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. https://doi.org/10.1016/j.saa.2022.121593 →
db:Europe PMC (2017). "Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.". https://doi.org/10.1107/s2056989017009318 →
db:doaj Algirdas Šačkus, Gytė Vilkauskaitė, Wolfgang Holzer. (2012). "4-{[(1-Phenyl-1H-pyrazol-3-yl)oxy]methyl}-1,3-dioxolan-2-one". Molbank. https://doi.org/10.3390/M786 →
db:Europe PMC et al.. (2010). "FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one.". https://doi.org/10.1016/j.saa.2010.04.016 →
db:crossref Ch. Wohlfarth. (2008). "Viscosity of 1,3-dioxolan-2-one". Landolt-Börnstein - Group IV Physical Chemistry. https://doi.org/10.1007/978-3-540-75486-2_64 →
db:crossref Wei HE, Huaizhong PAN, Xianli CHEN et al.. (2006). "SYNTHESIS OF 4-BENZYLOXYMETHYL-1,3-DIOXOLAN-2-ONE AND ITS POLYMERS". Acta Polymerica Sinica. https://doi.org/10.3724/sp.j.1105.2006.00479 →
db:pubmed Swist M, Wilamowski J, Zuba D et al.. (2005). "Determination of synthesis route of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P) based on impurity profiles of MDMA.". Forensic science international. https://doi.org/10.1016/j.forsciint.2004.06.016 →
db:Europe PMC et al.. (2004). "Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime.". https://doi.org/10.1021/ol0479951 →
db:crossref Michael J. Blandamer, John Burgess, Stephen J. Hamshere et al.. (1979). "Kinetics of substitution reactions of transition metal complexes in 1,3-dioxolan-2-one + water and 4-methyl-1,3-dioxolan-2-one + water solvent mixtures". Transition Metal Chemistry. https://doi.org/10.1007/bf00618829 →
db:crossref (0). "Synthesis of Benzoisochromene Derivatives via CH Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one". https://doi.org/10.1021/acs.orglett.5c00556.s001 →
db:crossref (0). "Synthesis of Degradable Homopolymer, Gradient and Block Copolymers, and Self-Assembly via RAFT Polymerization of 4,4-Dimethyl-2-methylene-1,3-dioxolan-5-one". https://doi.org/10.1021/acs.macromol.4c01638.s001 →

Stato normativo della sostanza

Questa sostanza è soggetta a requisiti normativi: gestione dei rifiuti pericolosi (BDO). Dettagli nella sezione "Stato normativo (REACH/ECHA/CLP)" e nella scheda SDS. Informazione normativa — non limita l'acquisto nel negozio.

🧮 Calcolatore stechiometricoMolGod_STOICH_1

🧪 Dati chimiciMolGod_CHEMDATA_1

Numero CAS: 96-49-1
Formula molecolare: C3H4O3
Massa molare: 88.06 g/mol
Nome IUPAC (EN): 1,3-dioxolan-2-one
SMILES: C1COC(=O)O1
InChIKey: KMTRUDSVKNLOMY-UHFFFAOYSA-N

📚 Scientific literature (6 articles)MolGod_LITSCI_1

🔒

FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one. 18 citations

et al. · (2010)

DOI ↗PubMed ↗

🔓

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2). 2 citations

Radan K, Forero-Saboya J, Ponrouch A et al. · (2023) · IUCrData

DOI ↗PubMed ↗PDF ↗

🔒

Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime. 22 citations

et al. · (2004)

DOI ↗PubMed ↗

🔒

Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one. 17 citations

et al. · (2025)

DOI ↗PubMed ↗

🔓

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).

et al. · (2023)

DOI ↗PubMed ↗PDF ↗

Filtra:

Ordina:

📈 Cronologia delle pubblicazioni

2004

2010

2012

2023

2025

See all 6 articles →

📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2

Temp. topnienia: 36.9
Density: 1.322

Source: PubChem, NIST WebBook. Last updated: 2026-09-21

🔍 Identificatori esterniMolGod_EXTID_1

1 su 16 sistemi ID6%

Database	Identificatore	Azioni
CAS Registry Number	96-49-1	Apri →

Fonti: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Bibliografia (estesa) (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Esteban, Jesús, Ladero, Miguel, García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design 94: 440-448. https://doi.org/10.1016/j.cherd.2014.08.024. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study.". https://doi.org/10.1021/acs.jpcb.0c10622.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Not All Fluorination Is the Same: Unique Effects of Fluorine Functionalization of Ethylene Carbonate for Tuning Solid-Electrolyte Interphase in Li Metal Batteries.". https://doi.org/10.1021/acs.langmuir.0c01652.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).". https://doi.org/10.1021/acsomega.7b00964.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations.". https://doi.org/10.1021/acs.jpcb.5b09561.s001. link [consultato: 2026-09-23] CC0 (metadata)

📡 Spettroscopia — CAS 96-49-1MolGod_SPECHUB_MAIN

📊 Banche dati di spettri spettroscopici — dati inline 9 sources MolGod_SPECDB_2

Gli spettri vengono recuperati su richiesta da 9 fonti. Ogni spettro viene salvato nel nostro database — l'apertura successiva = zero richieste all'API esterna. Scarica JCAMP-DX / CSV / PNG per ogni spettro senza dover cercare.

IR IR (Infrared) — NIST WebBook

Public domain (US Federal)

▶ Clicca per caricare lo spettro

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— points

📚 NIST Chemistry WebBook, SRD 69

MS (NIST) Mass Spectrum (EI) — NIST WebBook

Public domain (US Federal)

▶ Clicca per caricare lo spettro

🔗 Source

— points

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ Clicca per caricare lo spettro

🔗 Source

— points

📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

CC-BY-SA 4.0

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🔗 Source

— points

📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

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— points

📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)

Free for non-commercial

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 IR/NMR/MS (SDBS) →

📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)

JP Monograph Japanese Pharmacopoeia — Monographs

Reference only

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 JP Monograph →

📚 Japanese Pharmacopoeia 18th Edition (2021)

WHO INN WHO — International Nonproprietary Names

WHO Model Lists (free)

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🔗 WHO INN →

📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

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📚 DOAJ — doaj.org

🔬 Spettri interattivi (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

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Proprietà strutturaliMolGod_STRUCT3D_1

Caricamento dei dati strutturali...

❓ Domande frequenti (3)MolGod_FAQ_1

What is 96-49-1?

96-49-1 (CAS 96-49-1) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Utile?

What is the CAS number of 96-49-1?

The CAS number for 96-49-1 is 96-49-1. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Utile?

How should 96-49-1 be stored?

96-49-1 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.

Utile?

➕ Suggerisci una domanda

Scarica i file di strutturaMolGod_STRDL_1

File di struttura molecolare dal database PubChem (NIH). Compatibili con i programmi: Avogadro, PyMOL, Jmol, ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 Altri formati (PubChem)

Fonte: PubChem, National Library of Medicine (NIH). CID: 7303

🔄 Convertitore di unità di concentrazione LIVE MolGod_UNITCONV_1

Inserisci la concentrazione Ethylene carbonate in qualsiasi unità — il resto verrà calcolato automaticamente.

MW: 88.06 g/mol · IUPAC Gold Book ↗

⚗️ Formule di conversione + citazioni (per formula)

Conversion	Formula	Accuratezza	Source
% (w/v) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1	±0.2%	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity	c (mol/L) = (g/L) / MW	±0.1% (depends on MW precision)	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)

📚 Bibliografia (8 fonti autorevoli)

Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
→ Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
→ Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
→ Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
→ Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
→ Historical predecessor of IUPAC Green Book

Strutture molecolari similiMolGod_SIMSTR_1

Caricamento di strutture simili...

🧪 Procedura guidata di preparazione della soluzione WIZARD MolGod_PREP_1

① Seleziona la concentrazione

② Volume finale

③ Solvente

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

Chimica computazionaleMolGod_COMPCHEM_1

Caricamento dei dati computazionali...

🛡️ Sicurezza — CAS 96-49-1MolGod_SAFEHUB_MAIN

Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

Classificazione GHS/CLP — Regolamento (CE) n. 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Attenzione (Warning)

GHS07 Irritante / nocivo

GHS08 Pericolo per la salute

🚨 Indicazioni di pericolo (H)

H302 — Nocivo se ingerito.
H315 — Provoca irritazione cutanea.
H319 — Provoca grave irritazione oculare.
H373 — Può provocare danni agli organi in caso di esposizione prolungata o ripetuta.

🛡 Consigli di prudenza (P)

P260 — Non respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.

⚠ Classificazione basata sul consenso delle fonti (PubChem / notifiche dei fornitori) — non verificata rispetto alla classificazione armonizzata dell'allegato VI (CLP). L'ambito dei pericoli può essere più ampio della classificazione ufficiale; prima dell'uso verificare con la scheda di dati di sicurezza aggiornata del fornitore.

Traduzioni: Regolamento CLP (CE) 1272/2008, Allegato III e IV. Dati: PubChem/NLM.

♻️ Smaltimento dei rifiuti chimici Pericolo per la salute

📋 Codice EWC (Catalogo Europeo dei Rifiuti):
16 05 06* Prodotti chimici di laboratorio e analitici (reagenti) contenenti sostanze pericolose

Codice con asterisco (*) = rifiuto pericoloso che richiede la registrazione BDO + un protocollo di trasporto (Scheda di Trasferimento dei Rifiuti).

🌍 Pericolo per l'ambiente: NO

💧 Rischio di contaminazione dell'acqua: SÌ

🌱 Rischio di contaminazione del suolo: NO

🚫 NON scaricare in fognatura: SÌ

⚠️ Large spill — HAZMAT response: SÌ

📚 Riferimenti scientifici (Chicago Author-Date)

European Commission. 2014. Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC. Official Journal of the European Union. Decyzja 2014/955/UE. [link ↗] — European List of Waste (LoW) — codici EWC a 6 cifre + asterisco per i rifiuti pericolosi
Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów. Dziennik Ustaw RP 2020 poz. 10. [link ↗] — Catalogo polacco dei rifiuti — attuazione della Decisione 2014/955/UE
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Registro centrale BDO — elenco completo delle aziende autorizzate alla gestione dei rifiuti
Poland — Sejm of the Republic of Poland. 2012. Act of 14 December 2012 on waste. Journal of Laws (Dz.U.) 2013 item 21 (as amended). [link ↗] — Legge nazionale — definisce gli obblighi del produttore di rifiuti + registrazione BDO
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Classificazione dei rifiuti di laboratorio + procedure di segregazione (capitolo Waste Management); norme EN 374:2013 sui guanti per il personale che manipola rifiuti pericolosi.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Classificazione dei rifiuti per CAS + incompatibilità — input per la mappatura EWC.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reattività + compatibilità di stoccaggio dei rifiuti (ossidanti vs infiammabili — flussi separati).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — base per i DPI richiesti durante il trasporto dei rifiuti (KPO).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — formazione + DPI per la gestione dei rifiuti pericolosi.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Gerarchia della gestione dei rifiuti (prevenzione → recupero → smaltimento); definisce i "rifiuti pericolosi".
European Parliament and Council. 2009. Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures. Official Journal of the European Union L 353. [link ↗] — Classificazione CLP delle indicazioni di pericolo H → mappatura verso EWC * (asterisco = pericoloso).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — requisiti per il trasporto di rifiuti pericolosi (KPO + numero UN + classi 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — Linee guida internazionali di neutralizzazione + smaltimento per CAS.
European Parliament and Council. 2006. Regulation (EC) No 1013/2006 on Shipments of Waste. Official Journal of the European Union L 190: 1–98. [link ↗] — Trasferimento transfrontaliero di rifiuti pericolosi — requisiti di notifica + consenso prima dell'esportazione

📋 Conformità normativa (checklist di conformità) Pericolo per la salute 1 richiesto 7 voci

ℹ️ Lista di controllo degli obblighi normativi per CAS 96-49-1. Stato basato su: ADR 2025 (Tabella A), REACH Allegato XVII, CLP Allegato VI (classificazione armonizzata), hazard class da m14-spill DB, SVHC, GIS e NDS PL. Principio: assenza di dati = assenza di affermazione (NON dichiariamo 'assenza di restrizioni' senza base).

✅ SDS (Scheda di Dati di Sicurezza) disponibile soddisfatto

Come garantire la conformità: Requisito: SDS aggiornata conforme al Reg. 1907/2006 (REACH) allegato II, formato a 16 sezioni.

Base giuridica: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Fonte / modulo ↗
▣ Etichetta CLP conforme (pittogrammi + avvertenza + H/P) richiesto

Come garantire la conformità: L'etichetta deve contenere: pittogrammi GHS, avvertenza (Pericolo/Attenzione), indicazioni di pericolo H e consigli di prudenza P, dati del produttore. Obbligatorio dal 2010 (sostanze) e dal 2015 (miscele).

Base giuridica: Regulation (EC) 1272/2008 (CLP) Art. 17-33
📎 Fonte / modulo ↗
❓ Trasporto ADR (accordo internazionale) da verificare

Come garantire la conformità: Nessun dato ADR nel set di dati MOL-GOD per questo numero CAS. NON presumere l'assenza di restrizioni — prima della spedizione verificare la classificazione ai fini del trasporto nell'ADR 2025 (Tabella A) e nella sezione 14 della scheda di dati di sicurezza (SDS).

Base giuridica: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Fonte / modulo ↗
🔵 Registrazione REACH (>1 t/anno importazione UE) condizionale

Come garantire la conformità: Gli importatori/produttori ≥1 tonnellata/anno devono registrare la sostanza presso l'ECHA (dossier tecnico + Chemical Safety Report se ≥10 t). Consultare ECHA Annex VI / registered substances list.

Base giuridica: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Fonte / modulo ↗
❓ Notifica SVHC (Sostanze estremamente preoccupanti) da verificare

Come garantire la conformità: Stato SVHC non verificato nel set di dati disponibile — verificare l'elenco aggiornato delle sostanze candidate ECHA; non presumere l'assenza di una voce.

Base giuridica: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Fonte / modulo ↗
❓ REACH Allegato XIV (elenco autorizzazioni) da verificare

Come garantire la conformità: Non verificato rispetto all'elenco delle autorizzazioni ECHA — verificare l'Allegato XIV di REACH.

Base giuridica: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Fonte / modulo ↗
❓ REACH Allegato XVII (restrizioni all'uso/commercializzazione) da verificare

Come garantire la conformità: Brak wpisu w zbiorze klasyfikacji zharmonizowanej (CLP Załącznik VI) dla tego numeru CAS — status poz. 28–30 (zakaz CMR) NIEZWERYFIKOWANY; nie zakładać braku ograniczenia. Zbiór ograniczeń Załącznika XVII również niepełny — sprawdź skonsolidowany Załącznik XVII oraz klasyfikację zharmonizowaną CMR na stronach ECHA.

Base giuridica: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Fonte / modulo ↗

📚 Riferimenti scientifici (Chicago Author-Date)

European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classificazione, etichettatura e imballaggio delle sostanze + miscele (implementazione GHS nell'UE)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registrazione, valutazione e autorizzazione delle sostanze chimiche; SVHC; SDS Allegato II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — NDS e NDSCh per circa 600 sostanze chimiche — limiti polacchi attuali di esposizione professionale
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — Accordo internazionale sul trasporto su strada di merci pericolose — numeri UN, classi, imballaggi

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 96-49-1 · PubChem ↗

Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Normative
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.

📈 Statistica analitica (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Incolla una serie di misure replicate (CSV oppure un numero per riga). Il calcolatore calcolerà la media, la deviazione standard e il 95% CI, e rileverà gli outlier (Grubbs + Dixon Q).

Risultati delle misurazioni:

Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.

📐 Formule statistiche

x̄ = Σxᵢ / n — media aritmetica
s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
s = √s² — deviazione standard
RSD% = (s / x̄) × 100% — deviazione standard relativa
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — test di Grubbs
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Fonte: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Calcolatore di ricette per tamponi UNIQUE

Scegli un tampone dall'elenco di 20 sistemi popolari → inserisci il pH target → otterrai una ricetta esatta con le masse da pesare.

Passo 1: Scegli un sistema tampone

📜 Cronologia delle ricette (ultime 10)

Stato farmacologico

Prekliniczny

Phase I

Phase II

Phase III

Approvato

Preclinico — nessun dato da studi sull'uomo.

ChEMBL CHEMBL3181803 ↗

Bibliografia (estesa) (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Esteban, Jesús, Ladero, Miguel, García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design 94: 440-448. https://doi.org/10.1016/j.cherd.2014.08.024. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study.". https://doi.org/10.1021/acs.jpcb.0c10622.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Not All Fluorination Is the Same: Unique Effects of Fluorine Functionalization of Ethylene Carbonate for Tuning Solid-Electrolyte Interphase in Li Metal Batteries.". https://doi.org/10.1021/acs.langmuir.0c01652.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).". https://doi.org/10.1021/acsomega.7b00964.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations.". https://doi.org/10.1021/acs.jpcb.5b09561.s001. link [consultato: 2026-09-23] CC0 (metadata)

📅 Project Planner — Gestore degli esperimenti di laboratorio NOVITÀ

Pianifica l'intero progetto di laboratorio: aggiungi esperimenti con reagenti, repliche e durata. Otterrai un diagramma di Gantt, una lista degli acquisti (con link al negozio!), un budget con un margine del 10% e una matrice dei rischi GHS.

🧪 Solubilità e compatibilità con i solventi MolGod_SOLUB_1

Molecola

Ethylene carbonate

Formula

C3H4O3

logP (XLogP3)

0.30

Massa (g/mol)

88.06

Polarità

Moderata

⚠️ Stima GC (Hoftyzer-Van Krevelen). Nessun dato HSP di letteratura per questo CAS — precisione ±2 MPa½. Verificare sperimentalmente.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Solvente	Compat.	Ra	Visuale	GC-MS	HPLC	Applications	Riferimenti
Water (H₂O)	miscible	—		✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	—	—	brak podstawy	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	—	—	brak podstawy	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	—	—	brak podstawy	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	—	—	brak podstawy	✗ Nie	B (RP) (RP)	HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis	Aguilar, M.I. ↗NIST ↗CRC ↗Snyder & Kirkland ↗Reichardt 2011 ↗GESTIS ↗
DMSO	—	—	brak podstawy	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	—	—	brak podstawy	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	—	—	brak podstawy	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	—	—	brak podstawy	✓ Tak	N/A (toxic) (N/A)	NMR (CDCl3)lipid extraction (Folch method)NP-TLC	IARC Monographs ↗NIST ↗IARC 73 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Hexane	—	—	brak podstawy	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	—	—	brak podstawy	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Fonti: PubChem (NIH) · Hansen Solubility Database

📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

Teoria della solubilità (applicata nella previsione della compatibilità):

Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
PubChem Compound Database — CAS 96-49-1 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Verifica la compatibilità della reazione MolGod_RXNCOMP_1

Salute: 2/4

Infiammabilità: 0/4

Reattività: 0/4

Secondo NFPA 704 / calcolato dai codici H

Verifica se Ethylene carbonate è compatibile con un altro reagente

📦 Matrice di compatibilità di stoccaggio

	Acidi	Bases	Ossidanti	Infiammabile	Tossico	Gazy
Acidi	✓	✗	✗	✗	⚠	✗
Bases	✗	✓	⚠	⚠	⚠	⚠
Ossidanti	✗	⚠	✓	✗	⚠	✗
Infiammabile	✗	⚠	✗	✓	⚠	✗
Tossico	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Conservabili insieme · ⚠ Attenzione · ✗ NON conservare insieme · OSHA Chemical Segregation ↗

Dati di compatibilità da: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Calcolatori da laboratorio (8) MolGod_LABCALC_1

ppm → mg/L

Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

📊 Database di spettri spettroscopici MolGod_SPECDB_3

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 Generatore di protocolli di laboratorio MolGod_PROTOCOL_1

Concentrazione target

Volume (mL)

Iniziali

Protocollo generato sulla base di: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generatore di etichette (QR) MolGod_LABEL_1

Concentration

Data di preparazione

Iniziali

Deskryptory Lipinskiego (struktura)

Grafico radar di drug-likeness (Lipinski Ro5 / Veber). Zona verde = conformità ai criteri.

Dati predittivi — proprietà calcolate in silico (SMILES/RDKit). Non sostituiscono gli studi clinici. Non utilizzare per la valutazione di farmaci senza verifica sperimentale.

✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=88)✗ REOS (MW=88)✓ Lead-like Ro3

Proprietà	Valore	Valutazione
Absorption (GI)	alto	✓
Permeabilità BBB	sì (attraversa)
Biodisponibilità (Daina 2017)	55%
CYP450 profile	CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
Allerte PAINS	0	✓
Allerte Brenk	0	✓
pKa (pH 7.4)	4.5 (predicted)
hERG (cardiotox.)	✓ no
Substrato P-gp	—
Mutagenicità Ames	✓ no
DILI (epatotox.)	—
LogS (solub. acq.)	—

Fonti (metodologia ADMET)

Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
et al.. (2025). "Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.". https://doi.org/10.1021/acs.orglett.5c00556
Berthod A, Armstrong DW. (2025). "On the use of ethylene carbonate as a green solvent in mobile phases.". Journal of chromatography. A. https://doi.org/10.1016/j.chroma.2025.466259
Radan K, Forero-Saboya J, Ponrouch A et al.. (2023). "Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).". IUCrData. https://doi.org/10.1107/S2414314623000627
Eilmes A, Kubisiak P, Wróbel P. (2022). "Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.". International journal of molecular sciences. https://doi.org/10.3390/ijms232415590
Wang Z, Yu K, Zhao Y et al.. (2022). "Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.". Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. https://doi.org/10.1016/j.saa.2022.121593
(2017). "Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.". https://doi.org/10.1107/s2056989017009318
Algirdas Šačkus, Gytė Vilkauskaitė, Wolfgang Holzer. (2012). "4-{[(1-Phenyl-1H-pyrazol-3-yl)oxy]methyl}-1,3-dioxolan-2-one". Molbank. https://doi.org/10.3390/M786
et al.. (2010). "FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one.". https://doi.org/10.1016/j.saa.2010.04.016
Ch. Wohlfarth. (2008). "Viscosity of 1,3-dioxolan-2-one". Landolt-Börnstein - Group IV Physical Chemistry. https://doi.org/10.1007/978-3-540-75486-2_64
Wei HE, Huaizhong PAN, Xianli CHEN et al.. (2006). "SYNTHESIS OF 4-BENZYLOXYMETHYL-1,3-DIOXOLAN-2-ONE AND ITS POLYMERS". Acta Polymerica Sinica. https://doi.org/10.3724/sp.j.1105.2006.00479
Swist M, Wilamowski J, Zuba D et al.. (2005). "Determination of synthesis route of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P) based on impurity profiles of MDMA.". Forensic science international. https://doi.org/10.1016/j.forsciint.2004.06.016
et al.. (2004). "Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime.". https://doi.org/10.1021/ol0479951
Michael J. Blandamer, John Burgess, Stephen J. Hamshere et al.. (1979). "Kinetics of substitution reactions of transition metal complexes in 1,3-dioxolan-2-one + water and 4-methyl-1,3-dioxolan-2-one + water solvent mixtures". Transition Metal Chemistry. https://doi.org/10.1007/bf00618829
(0). "Synthesis of Benzoisochromene Derivatives via CH Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one". https://doi.org/10.1021/acs.orglett.5c00556.s001
(0). "Synthesis of Degradable Homopolymer, Gradient and Block Copolymers, and Self-Assembly via RAFT Polymerization of 4,4-Dimethyl-2-methylene-1,3-dioxolan-5-one". https://doi.org/10.1021/acs.macromol.4c01638.s001
Esteban, Jesús; Ladero, Miguel; García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design. DOI: 10.1016/j.cherd.2014.08.024. [DOI ↗]
Esteban, Jesús, Ladero, Miguel, García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design 94: 440-448. https://doi.org/10.1016/j.cherd.2014.08.024. [DOI ↗]
"MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study." DOI: 10.1021/acs.jpcb.0c10622.s001. [DOI ↗]
"StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate)." DOI: 10.1021/acsomega.7b00964.s001. [DOI ↗]
"Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations." DOI: 10.1021/acs.jpcb.5b09561.s001. [DOI ↗]
"Unveiling Reaction Pathways of Ethylene Carbonate and Vinylene Carbonate in Li-Ion Batteries." DOI: 10.1021/acs.jpcc.4c00927.s001. [DOI ↗]
"Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, Valerolactone, and Butyrolactone." DOI: 10.1021/acs.jced.7b00578.s001. [DOI ↗]
"Measurement and Correlation of Binary Systems Containing 1,2-Dichloroethylene Carbonate, Fluoroethylene Carbonate, and Ethylene Carbonate at 0.4 kPa." DOI: 10.1021/acs.jced.5c00530.s001. [DOI ↗]
"Temperature-Resolved Crystal Structure of Ethylene Carbonate." DOI: 10.1021/acs.jpcc.4c08421.s001. [DOI ↗]
Anonymous. "MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study.". https://doi.org/10.1021/acs.jpcb.0c10622.s001. [DOI ↗]
Anonymous. "Not All Fluorination Is the Same: Unique Effects of Fluorine Functionalization of Ethylene Carbonate for Tuning Solid-Electrolyte Interphase in Li Metal Batteries.". https://doi.org/10.1021/acs.langmuir.0c01652.s001. [DOI ↗]
Anonymous. "StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).". https://doi.org/10.1021/acsomega.7b00964.s001. [DOI ↗]
Anonymous. "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations.". https://doi.org/10.1021/acs.jpcb.5b09561.s001. [DOI ↗]
Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
Ch. Wohlfarth. 2008. "Viscosity of 1,3-dioxolan-2-one." Landolt-Börnstein - Group IV Physical Chemistry. DOI: 10.1007/978-3-540-75486-2_64. [DOI ↗]
Michael J. Blandamer, John Burgess, Stephen J. Hamshere et al. 1979. "Kinetics of substitution reactions of transition metal complexes in 1,3-dioxolan-2-one + water and 4-methyl-1,3-dioxolan-2-one + water solvent mixtures." Transition Metal Chemistry. DOI: 10.1007/bf00618829. [DOI ↗]
et al. 2025. "Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one." DOI: 10.1021/acs.orglett.5c00556. [DOI ↗]
Keyla F. Morales-Rivera, Dalice M. Piñero Cruz, Jose A. Prieto. 2017. "Crystal structure of (−)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one." Acta Crystallographica Section E: Crystallographic Communications. DOI: 10.1107/S2056989017009318. [DOI ↗]
Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
et al. 2010. "FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one." DOI: 10.1016/j.saa.2010.04.016. [DOI ↗]
Wei HE, Huaizhong PAN, Xianli CHEN et al. 2006. "SYNTHESIS OF 4-BENZYLOXYMETHYL-1,3-DIOXOLAN-2-ONE AND ITS POLYMERS." Acta Polymerica Sinica. DOI: 10.3724/sp.j.1105.2006.00479. [DOI ↗]
et al. 2004. "Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime." DOI: 10.1021/ol0479951. [DOI ↗]
Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
2018. "Spiro-thiazolones." [ChEMBL bioactivity primary lit]
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Levitt, David. 2024. "Pharmacokinetics/pharmacodynamics of glucocorticoids: modeling the glucocorticoid receptor dynamics and dose/response of commonly prescribed glucocorticoids." ADMET and DMPK. https://doi.org/10.5599/admet.2414. [DOI ↗]
ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
Sridharan, Kannan, Al Banna, Rashed, Husain, Aysha. 2021. "Evaluation of pharmacokinetics of warfarin from validated pharmacokinetic-pharmacodynamic model." ADMET and DMPK. https://doi.org/10.5599/admet.909. [DOI ↗]
Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗

🧪 Assistente di preparazione della soluzione (Smart Prep) MolGod_PREP_2

Inserisci cosa vuoi preparare — genererò una SOP

Esempi qui sotto — clicca per inserire:

Ricette predefinite:

📚 Panoramica della letteratura scientifica — CAS 96-49-1MolGod_LITHUB_MAIN

⭐ Risultati principali (letteratura scientifica) 14 publications

🏆 CAS 96-49-1 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.

#1

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).

Radan K, Forero-Saboya J, Ponrouch A et al. (2023) · IUCrData

Perché è importante: Recente (2023) · open access

SCORE 9.18 Meccanismo Citations: 2 Open Access DOI ↗ PubMed ↗
#2

Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.

et al. (2025) · Organic Letters

Perché è importante: Recente (2025)

SCORE 8.57 Meccanismo Citations: 17 DOI ↗ PubMed ↗
#3

Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.

Eilmes A, Kubisiak P, Wróbel P (2022) · International journal of molecular sciences

Perché è importante: Open access

SCORE 6.65 Meccanismo Open Access DOI ↗ PubMed ↗
#4

Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.

Keyla F. Morales-Rivera; Dalice M. Piñero Cruz; Jose A. Prieto (2017) · Acta Crystallographica Section E Crystallographic Communications

Perché è importante: Open access

SCORE 5.95 Meccanismo Open Access DOI ↗ PubMed ↗
#5

4-{[(1-Phenyl-1H-pyrazol-3-yl)oxy]methyl}-1,3-dioxolan-2-one

Algirdas Šačkus, Gytė Vilkauskaitė, Wolfgang Holzer (2012) · Molbank

Perché è importante: Open access

SCORE 5.08 Meccanismo Citations: 2 Open Access DOI ↗
#6

Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime.

et al. (2004) · Organic Letters

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 4.89 Meccanismo Citations: 22 DOI ↗ PubMed ↗
#7

On the use of ethylene carbonate as a green solvent in mobile phases.

Berthod A, Armstrong DW (2025) · Journal of chromatography. A

Perché è importante: Recente (2025)

SCORE 4 Meccanismo DOI ↗ PubMed ↗
#8

Determination of synthesis route of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P) based on impurity profiles of MDMA.

Swist M, Wilamowski J, Zuba D et al. (2005) · Forensic science international

Perché è importante: Open access

SCORE 3.85 Meccanismo Open Access DOI ↗ PubMed ↗
#9

FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one.

et al. (2010) · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 3.84 Meccanismo Citations: 18 DOI ↗ PubMed ↗
#10

Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.

Wang Z, Yu K, Zhao Y et al. (2022) · Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 3.6 Meccanismo DOI ↗ PubMed ↗
#11

SYNTHESIS OF 4-BENZYLOXYMETHYL-1,3-DIOXOLAN-2-ONE AND ITS POLYMERS

Wei HE, Huaizhong PAN, Xianli CHEN et al. (2006) · Acta Polymerica Sinica

Perché è importante: Open access

SCORE 3.05 Meccanismo Open Access DOI ↗
#12

Kinetics of substitution reactions of transition metal complexes in 1,3-dioxolan-2-one + water and 4-methyl-1,3-dioxolan-2-one + water solvent mixtures

Michael J. Blandamer, John Burgess, Stephen J. Hamshere et al. (1979) · Transition Metal Chemistry

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 2.9 Meccanismo Citations: 4 DOI ↗
#13

Synthesis of Benzoisochromene Derivatives via CH Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 0.8 Meccanismo DOI ↗
#14

Synthesis of Degradable Homopolymer, Gradient and Block Copolymers, and Self-Assembly via RAFT Polymerization of 4,4-Dimethyl-2-methylene-1,3-dioxolan-5-one

Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).

SCORE 0.8 Meccanismo DOI ↗

Tag	TF	DF	IDF	Score
-dioxolan- -one	20	13	1.251	35.037
synthesis	8	7	1.811	14.487
anti	5	2	2.792	13.959
crystal structure	4	4	2.281	12.773
-methyl- -dioxolan-	3	2	2.792	11.725
synthesis benzoisochromene	3	2	2.792	11.725
benzoisochromene derivatives	3	2	2.792	11.725
derivatives activation-initiated	3	2	2.792	11.725
anti anti	3	2	2.792	11.725
compound	5	4	2.281	11.405

🔬 HPLC — metodi e parametri — CAS 96-49-1MolGod_HPLCHUB_MAIN

📈 Gradiente HPLC — ottimizzatore (LSS) MODELLO

Gradiente basato su PubChem XLogP3 + LSS (Snyder et al. 2010, cap. 9).

Colonna: C18
Tampone: phosphate
Flusso: 1 mL/min
logP: 0.3 (PubChem XLogP3)
Ramp: 7% → 95% B, 10 min
Tempo totale di analisi: 23 min

t (min)	%A	%B	flow (mL/min)	Commento
0	93	7	1	avvio (equilibrio)
2	93	7	1	fine mantenimento iniziale
12	5	95	1	fine rampa LSS
17	5	95	1	lavaggio della colonna
18	93	7	1	ritorno a init
23	93	7	1	riequilibrazione

📚 Riferimenti scientifici (Chicago Author-Date)

Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/96-49-1

📐 Dimensioni della colonna — calcolatore van Deemter N=12,466

Formula: H = A + B/u + C·u (Van Deemter et al. 1956), N = L/H, ΔP ≈ η·L·u / (K_p·dp²) (Knox 1977). u_opt = √(B/C) (Giddings 1965).

Dimensions	150 × 4.6 mm, 5 µm
Piatti teorici (N)	12,466
N a u_opt	12,500
HETP (attuale)	12.032 µm
Min. HETP	12 µm
Velocità lineare (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Contropressione (ΔP)	42.1 bar
Tempo di analisi (volume morto)	2.49 min

📚 Riferimenti scientifici (Chicago Author-Date)

Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/96-49-1

🧪 Fase mobile — matrice di compatibilità MISCIBLE

Componente	Nome	UV cutoff (nm)	P'	Rivelatori
Solv.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Solv.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Tampone	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Rivelatore: UV — compatibile con entrambi i solventi.

📚 Riferimenti scientifici (Chicago Author-Date)

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

Guida completa al metodo HPLC Revisione paritaria

Scenari specifici per la molecola, risoluzione dei problemi e riferimenti bibliografici

Molecular Predictor

Predicted parameters for this molecule (CAS 96-49-1) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

1.95 min

Range: 1.37 – 2.54

confidence: low

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

= 5.678 mM

confidence: high

Safe linear range detektora UV (nie przekroczy 1.5 AU)

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

20 μL

confidence: medium

Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

1. Selezione della fase mobile Solventi, gradi di purezza, lista degli acquisti

Un vero problema del chimico

First column connection — no leak

A C18 100×4.6 mm column straight out of the box. How to connect it without dismantling it and spilling ACN over the autosampler?

Come lo risolviamo

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

Consumption Calculator

Numero di campioni:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Calcolatore interattivo

Numero di campioni:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

Comprendere la chimica della fase mobile

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 PLN/L (-39%)

Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?

Volatile: MS-compatible (evaporates without residue)
pH range: 6.5–8.5 (ideal for most organic acids)
Shelf life: 4 weeks @ 4°C (make fresh weekly)
Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 h (edit template)	16 h
Ryzyko OOS w Q1	~2%	~15%
Total (jednorazowo)	—	—

4. Fast gradient (high-throughput) — ROI

—

	Fast (5 min)	Standard (23 min)
Runtime/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

Domande frequenti

Dla 1,3-dioxolan-2-one (logP=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=88.06, CAS 96-49-1) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

Can I use distilled water instead of HPLC grade? +

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

ACN vs MeOH — which to choose? +

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

2. Ottimizzazione del gradiente Timeline, slope, retention control

Gradient Problem From The Lab

Peak tailing ruined my results

I ran the method exactly as written. Main peak Tf = 2.8 (should be <1.5). Integration impossible. I repeated it 6× — always tailing.

Lesson learned (Anna K., PhD student, Warszawa, 2024-03):
Causes: (1) buffer pH 8.2 instead of 7.0, (2) 2-month-old buffer (bacteria!), (3) C8 column instead of C18. Fix: fresh buffer pH 7.0 + switch to C18 → Tf 1.2, Rs 1.9→2.3.

Our Gradient Strategy

Initial hold 0–2 min @ 5% B — sample adsorbs on the head
Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
Final hold 15–20 min @ 95% B — elute strongly retained
Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#	Time	%B start	%B end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

Slope (Δ%B/min)

—

Gradient volume (mL)

—

Dwell vol estimate (mL)

—

k*·t₀ (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t₀ ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log k_w − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t₀. Dla kolumny 250×4.6mm @ 1 mL/min → t₀ ≈ 2 min → gradient 10–12 min.

Domande frequenti

Jakie Rt przewidywane dla 1,3-dioxolan-2-one na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 1,3-dioxolan-2-one (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

Dlaczego linear gradient a nie step? +

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

How to set the starting %B in the gradient? +

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

3. Selezione della colonna C18, particle size, dimensions

Column Choice Dilemma

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

Clean samples: 2000–5000 injections
Biological matrix: 500–1000 injections
Crude extracts: 100–500 injections
Guard column = +4× main column lifetime

Domande frequenti

C18 vs C8 — which one when? +

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Co to guard column i czy warto? +

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

Dla MW=88.06 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=88.06 (CAS 96-49-1) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. Impostazioni di rivelazione UV wavelength, bandwidth, response

Detection Gotcha

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja baseline drift

Alternative Detectors

RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

5. Validazione del metodo SST, precision, accuracy, robustness

Validation Reality Check

10 columns in 2 months — wrong filter

Q1 audit: column cost +340% vs Q4. QA blamed the lab. Investigation: a new operator was using a 0.45 μm filter instead of 0.22 μm. Microparticles got through the guard and were killing the main columns by the 100th injection.

Lesson learned (Marta K., QC supervisor, pharma company, 2025-02-10):
The filter SOP must be WRITTEN and checked every batch. 0.22 μm is the standard per USP . Cost of the error: 10 columns × 1800 PLN = 18,000 PLN + audit finding.

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% spec, 5 levels

Pre-Flight SST Checklist

Inject the standard 6× in a row
Calculate Rs, Tf, N, RSD for each
ALL pass → proceed with samples
ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

Resolution (R_s) &geq; 2.0
Tailing factor (T_f) &leq; 2.0
Theoretical plates (N) &geq; 2000
Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

Specificity — baseline separation of all analytes
Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
Accuracy — 98–102% recovery
Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

Harmonizowane z USP
System suitability identical do USP
Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

Harmonizowane z USP post-2020
Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

§211.22 — QC unit responsibilities
§211.160 — laboratory controls
§211.165 — testing and release
§211.194 — laboratory records (complete + audit trail)
Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

Method validation per ISO 17025 §7.2
Measurement uncertainty udokumentowana
Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr	Nasza metoda ★	USP <621>	Literatura	Vendor (Agilent)
Kolumna	Zorbax Eclipse Plus C18 150×4.6 mm	L1 (C18, bonded, 5 μm)	n/a (brak PubMed refs dla tego CAS)	Zorbax SB-C18 150×4.6 mm
Particle size	3.5 μm	5 μm (USP default)	—	5 μm
Faza A	10 mM NH₄HCO₃ pH 7.0	Phosphate buffer pH 2.5	—	0.1% TFA w H₂O
Faza B	Acetonitryl HPLC grade	Acetonitryl / Methanol	—	Acetonitryl / 0.1% TFA
Gradient	5 → 95% B w 15 min (linear)	Isocratic (preferowane w USP)	—	10 → 90% B w 20 min
Flow	1.0 mL/min	1.5 mL/min	—	1.0 mL/min
Temperatura	30°C	25°C	—	40°C
Detekcja	UV 210 nm + 254 nm	UV 254 nm (standard USP)	—	DAD 210/254 nm
Runtime	23 min	30 min	—	25 min
Rs (typ.)	2.3	≥ 2.0	—	2.1
Walidacja	USP <621> + ICH Q2(R1)	USP <621> obligatoryjnie	—	Application note only
Solvent cost/run	~5 PLN/run	~7 PLN/run	—	~6 PLN/run

Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate

Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate

UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate

Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate

Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate

Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate

Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate

Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate

Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate

Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Domande frequenti

What if Rs=1.9 (fail)? +

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

Spec limits for 1,3-dioxolan-2-one — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 1,3-dioxolan-2-one (CAS 96-49-1) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

Co to system suitability test (SST)? +

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

6. Preparazione del campione Dilution, filtration, storage

Prep Mistakes That Ruined The Run

First column connection — no leak

A C18 100×4.6 mm column straight out of the box. How to connect it without dismantling it and spilling ACN over the autosampler?

Sample Prep Protocol

Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
Sonikuj 5 min → vortex 30 s
Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
Transfer 1 mL do HPLC vial z septum PTFE/silikon
Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

7. Download e risorse PDF method, SOP template, validation protocols

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Analisi forense — storie reali di fallimenti Lezioni apprese

Veri incidenti di chimici — cosa è successo, cosa ha aiutato, cosa evitare.

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5

Cosa è successo:

FDA inspection Q3 2025. Warning Letter: "Empower audit trail disabled w 3 sekwencjach 2024-12". Investigation: stary operator który odszedł, miał privilege „Disable audit" do troubleshoot. NIKT nie wyłączył mu privileged after departure.

💡 Lekcja:

Privileged access review MONTHLY. Disable audit trail should never be enabled on prod. HR offboarding MUST trigger IT access revocation. Cost: 483 forms + 6 months of remediation.

Ghost peaks w ostatnim dniu stability

Dr. Tomasz W., PhD pharmaceutical 2024-08-22 Poziom 4/5

Cosa è successo:

Day 90 stability pull. 6 batch × 2 repeats. W próbce widzę duplikaty peaków z poprzedniego dnia. OOS opened. 4 dni investigation. Root cause: nie pomylony carry-over, tylko buffer NH4HCO3 zostawiony w systemie weekend = bakterie.

💡 Lekcja:

NIGDY nie zostawiaj buforu w systemie >3 dni. Zawsze flush z 80% ACN/20% H2O przed weekendem. Koszt lekcji: 4 dni pracy + 3 batch release delay.

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🔄 Alternatywne produktyMolGod_ALTPROD_1

⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 96-49-1). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

Butyl acetate (BTAC)

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Butyl acrylate (BA)

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Butyl methacrylate (BMA)

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Diethyl phthalate (DEP)

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Dioctyl phthalate (DOP)

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📄 Certificati di Analisi (CoA) CAS 96-49-1 nessuno MolGod_COA_2

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📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere

Standard di gestione dei lotti e di certificazione di laboratorio — 13 fonti indipendenti (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients

🧮 Ceny hurtowe (B2B)MolGod_BULK_1

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📜 Brevetti (metadati pubblici) nessun dato MolGod_PATENT_2

Attualmente non sono stati trovati metadati brevettuali pubblici per questa sostanza in Crossref / OpenAlex. I dati verranno aggiornati automaticamente dopo il prossimo aggiornamento della cache (24h).

📚 Riferimenti (Chicago Author-Date) — fare clic per espandere

Esteban, Jesús, Ladero, Miguel, García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design 94: 440-448. https://doi.org/10.1016/j.cherd.2014.08.024.
Anonymous. "MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study.". https://doi.org/10.1021/acs.jpcb.0c10622.s001.
Anonymous. "Not All Fluorination Is the Same: Unique Effects of Fluorine Functionalization of Ethylene Carbonate for Tuning Solid-Electrolyte Interphase in Li Metal Batteries.". https://doi.org/10.1021/acs.langmuir.0c01652.s001.
Anonymous. "StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).". https://doi.org/10.1021/acsomega.7b00964.s001.
Anonymous. "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations.". https://doi.org/10.1021/acs.jpcb.5b09561.s001.
et al.. (2025). "Synthesis of Benzoisochromene Derivatives via C-H Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one.". https://doi.org/10.1021/acs.orglett.5c00556
Berthod A, Armstrong DW. (2025). "On the use of ethylene carbonate as a green solvent in mobile phases.". Journal of chromatography. A. https://doi.org/10.1016/j.chroma.2025.466259
Radan K, Forero-Saboya J, Ponrouch A et al.. (2023). "Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).". IUCrData. https://doi.org/10.1107/S2414314623000627
Eilmes A, Kubisiak P, Wróbel P. (2022). "Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate.". International journal of molecular sciences. https://doi.org/10.3390/ijms232415590
Wang Z, Yu K, Zhao Y et al.. (2022). "Aggregation induced spectral splitting and Fermi resonance of Ethylene Carbonate in binary mixture.". Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. https://doi.org/10.1016/j.saa.2022.121593
(2017). "Crystal structure of (-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methyl-hept-5-en-2-yl]-1,3-dioxolan-2-one.". https://doi.org/10.1107/s2056989017009318
Algirdas Šačkus, Gytė Vilkauskaitė, Wolfgang Holzer. (2012). "4-{[(1-Phenyl-1H-pyrazol-3-yl)oxy]methyl}-1,3-dioxolan-2-one". Molbank. https://doi.org/10.3390/M786
et al.. (2010). "FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one.". https://doi.org/10.1016/j.saa.2010.04.016
Ch. Wohlfarth. (2008). "Viscosity of 1,3-dioxolan-2-one". Landolt-Börnstein - Group IV Physical Chemistry. https://doi.org/10.1007/978-3-540-75486-2_64
Wei HE, Huaizhong PAN, Xianli CHEN et al.. (2006). "SYNTHESIS OF 4-BENZYLOXYMETHYL-1,3-DIOXOLAN-2-ONE AND ITS POLYMERS". Acta Polymerica Sinica. https://doi.org/10.3724/sp.j.1105.2006.00479
Swist M, Wilamowski J, Zuba D et al.. (2005). "Determination of synthesis route of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P) based on impurity profiles of MDMA.". Forensic science international. https://doi.org/10.1016/j.forsciint.2004.06.016
et al.. (2004). "Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime.". https://doi.org/10.1021/ol0479951
Michael J. Blandamer, John Burgess, Stephen J. Hamshere et al.. (1979). "Kinetics of substitution reactions of transition metal complexes in 1,3-dioxolan-2-one + water and 4-methyl-1,3-dioxolan-2-one + water solvent mixtures". Transition Metal Chemistry. https://doi.org/10.1007/bf00618829
(0). "Synthesis of Benzoisochromene Derivatives via CH Activation-Initiated Cascade Formal [4+2] and [2+4] Annulation of Aryl Enaminone with Vinyl-1,3-dioxolan-2-one". https://doi.org/10.1021/acs.orglett.5c00556.s001
(0). "Synthesis of Degradable Homopolymer, Gradient and Block Copolymers, and Self-Assembly via RAFT Polymerization of 4,4-Dimethyl-2-methylene-1,3-dioxolan-5-one". https://doi.org/10.1021/acs.macromol.4c01638.s001
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/96-49-1?status=active&limit=10

Bibliografia (estesa) (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Esteban, Jesús, Ladero, Miguel, García-Ochoa, Félix. 2015. "Liquid–liquid equilibria for the systems ethylene carbonate + ethylene glycol + glycerol; ethylene carbonate + glycerol carbonate + glycerol and ethylene carbonate + ethylene glycol + glycerol carbonate + glycerol at catalytic reacting temperatures." Chemical Engineering Research and Design 94: 440-448. https://doi.org/10.1016/j.cherd.2014.08.024. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "MeTFSI (Me = Li, Na) Solvation in Ethylene Carbonate and Fluorinated Ethylene Carbonate: A Molecular Dynamics Study.". https://doi.org/10.1021/acs.jpcb.0c10622.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Not All Fluorination Is the Same: Unique Effects of Fluorine Functionalization of Ethylene Carbonate for Tuning Solid-Electrolyte Interphase in Li Metal Batteries.". https://doi.org/10.1021/acs.langmuir.0c01652.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "StructureProperty Relationships of Poly(ethylene carbonate) and Poly(propylene carbonate).". https://doi.org/10.1021/acsomega.7b00964.s001. link [consultato: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations.". https://doi.org/10.1021/acs.jpcb.5b09561.s001. link [consultato: 2026-09-23] CC0 (metadata)

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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 120 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 96-49-1.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

PubChem. n.d. PubChem Compound Summary: CAS 96-49-1. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine.
NIST. n.d. NIST Chemistry WebBook: CAS 96-49-1. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=96-49-1.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 96-49-1. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.

📐 Standard / Linee guida

ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Libri

Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Articoli scientifici (peer-reviewed)

Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Siti web

ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. https://doi.org/10.1021/acs.analchem.6b03506.
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
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Ethylene Carbonate

Specification

Packaging and shipping

Product Description

Delivery&Payment method

Frequently asked

Technical reading on Ethylene Carbonate

Ethylene carbonate: two buyers, one drum

Related products

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Methyl acetate

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Riferimento rapido

Identificatori chimici

Bibliografia (estesa) (5)

IR — infrarosso in trasformata di Fourier

MS — spettrometria di massa (EI 70eV)

① Seleziona la concentrazione

② Volume finale

③ Solvente

🚨 Indicazioni di pericolo (H)

🛡 Consigli di prudenza (P)

🧬 Classificazione di cancerogenicità IARC

🔬 Limiti di esposizione professionale (PubChem × NIOSH/OSHA)

ℹ️ Notifiche GHS dei fornitori (autoclassificazione — non vincolanti)

🥽 PPE — Dispositivi di protezione individuale

🩹 Primo soccorso

Passo 1: Scegli un sistema tampone

Passo 2: Parametri del tampone

Passo 3: La tua ricetta

Procedura passo passo:

Bibliografia (estesa) (5)

🧮 Calcolatore di solubilità

Solubilità vs Temperatura

🌐 Hansen Solubility Sphere (3D)

🧪 Calcolatore di miscele di solventi

🔬 Metodi analitici raccomandati

🤖 Generator metod

📚 Metodi dal database

💬 Metodi inviati dagli utenti

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Dilution (C₁V₁=C₂V₂)

Molarità (M=n/V)

Tampone pH (Henderson-Hasselbalch)

Beer-Lambert (A=εcl)

Massa → Moli

Concentration % → M

ppm → mg/L

Temperature C↔F↔K

Inserisci cosa vuoi preparare — genererò una SOP

📊 Guida completa al metodo HPLC Revisione paritaria

📈 Molecular Predictor

⚠ Un vero problema del chimico

First column connection — no leak

✅ Come lo risolviamo

Exact Solvent List

Grade Explanations

Consumption Calculator

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🔧 Calcolatore interattivo

Results

📚 Deep Education

Comprendere la chimica della fase mobile

Why Acetonitrile vs Methanol?

Van Deemter Equation Impact

Buffer Selection: Why NH₄HCO₃?

💵 Cost Savings Calculator

1. Solwenty — ACN vs MeOH

2. Kolumna — z guard vs bez

3. Method development — SOP vs scratch

4. Fast gradient (high-throughput) — ROI

❓ Domande frequenti

⚠ Gradient Problem From The Lab

Peak tailing ruined my results

✅ Our Gradient Strategy

🔧 Gradient Visualizer

Gradient Timeline

Slope & Dwell Volume Test

📚 Snyder-Dolan LSS Model

Guida completa al metodo HPLC Revisione paritaria

Molecular Predictor

Un vero problema del chimico

Come lo risolviamo

Calcolatore interattivo

Deep Education

Cost Savings Calculator

Domande frequenti

Gradient Problem From The Lab

Our Gradient Strategy

Gradient Visualizer

Snyder-Dolan LSS Model

Domande frequenti

Column Choice Dilemma

Recommended Columns

Column Lifetime Rules

Domande frequenti

Detection Gotcha

DAD Settings

Alternative Detectors

Validation Reality Check

USP <621> + ICH Q2(R1) Criteria

Pre-Flight SST Checklist

Regulatory Compliance

Method Comparison Matrix

Interactive Troubleshooting Tree

Domande frequenti

Prep Mistakes That Ruined The Run

Sample Prep Protocol

Why Filter 0.22 μm?

Analisi forense — storie reali di fallimenti Lezioni apprese

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