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Eapearl Chemical

Dimethyl carbonate

DMC

CAS 616-38-6 EC 210-478-4 C3H6O3 Ester CLP Danger
MolGod_SDSCARD_1
REACH 2020/878
v1 · 22.09.2026

Specification

Product NameDimethyl carbonate
Other NamesDMC
CAS No.616-38-6
EINECS No.210-478-4
MFC3H6O3
Molecular weight90.08
Purity99.90%
AppearanceColorless transparent liquid
Density1.069 g/mL at 20 °C
Melting point0.5 °C (lit.)
Boiling point90-91 °C
Flashing point17 °C (closed cup)

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

Hazard classification

GHS pictogram GHS02 — Flammable

Danger

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

  • H225 Highly flammable liquid and vapour

European Chemicals Agency. "dimethyl carbonate, Index No. 607-013-00-6." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Packaging and shipping

Drum220kg/225 kg
IBC Drum1000kg/1127 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Dimethyl carbonate
Dimethyl carbonate
Dimethyl carbonate

Dimethyl Carbonate (DMC, CAS 616-38-6) is a versatile, eco-friendly organic compound widely recognized as a “green solvent” for its low toxicity and biodegradable properties. It serves as a crucial raw material in lithium-ion battery electrolytes, pharmaceutical synthesis, and chemical manufacturing, offering excellent solubility and reactivity.
With high purity grades (industrial, battery, and pharmaceutical), DMC acts as an efficient solvent for coatings, inks, and cleaning agents, replacing harmful traditional solvents. It also functions as a methylating and carbonylating agent in organic synthesis, supporting the production of polycarbonates, lubricants, and fine chemicals.
Backed by a stable supply chain and full compliance documentation, our DMC meets international quality standards, ensuring reliable performance across multiple industrial applications while aligning with global sustainability goals.

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guaranteeDimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guaranteeDimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Product Description

Dimethyl Carbonate (DMC, CAS 616-38-6) is a high-purity, eco-friendly organic compound known as a “green solvent” with low toxicity and excellent biodegradability.

 It appears as a colorless transparent liquid with a molecular formula of C₃H₆O₃ and a molecular weight of 90.08, boasting a density of 1.069 g/mL at 20 °C, a melting point of 0.5 °C, a boiling point of 90-91 °C, and a flash point of 17 °C (closed cup). Widely used across industries, DMC serves as a critical raw material in lithium-ion battery electrolytes, providing high electrochemical stability and safety for energy storage systems.

 It also acts as an efficient methylating and carbonylating agent in pharmaceutical and chemical synthesis, supporting the production of polycarbonates, lubricants, and fine chemicals while replacing harmful traditional solvents In coatings, inks, and cleaning products, DMC functions as a low-VOC solvent with strong dissolving power, reducing environmental impact and improving product performance. For usage, in battery manufacturing, it is typically blended with other carbonates (such as EC and EMC) to formulate electrolytes; in chemical synthesis, it is used under controlled temperature and pressure to avoid flammability risks;

 in industrial cleaning, it is applied directly or diluted to remove stubborn residues without damaging substrates. 

 Our DMC is available in industrial, battery, and pharmaceutical grades, with stable supply chains and full compliance documentation, meeting international quality standards to ensure reliable performance in diverse applications while advancing global sustainability goals.

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Delivery&Payment method

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Frequently asked

In what packaging is Dimethyl carbonate shipped?

Standard formats are Drum (220kg/225 kg), IBC Drum (1000kg/1127 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 Dimethyl 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 99.90%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Dimethyl carbonate

Related products

🧬 Wizualizator molekuły 3D
Ładowanie molekuły...
Model 3D Dimethyl Carbonate, CAS 616-38-6, wzór sumaryczny C3H6O3, masa molowa 90.08 g/mol

Dane transkrybowane z rejestrów regulacyjnych i literatury fachowej, z podaniem źródła i wydania. Nie zastępują karty charakterystyki dostawcy. Pola bez zapisanego źródła oznaczone jako takie.

📊 Dane fizykochemiczne — CAS 616-38-6MolGod_PROPHUB_MAIN
📊 Właściwości fizykochemiczne

Szybki przegląd

Wzór: C3H6O3
MW: 90.08 g/mol
CAS: 616-38-6
🔬 Właściwości zaawansowane

Identyfikatory chemiczne

SMILES: COC(=O)OC

Ostatnia aktualizacja: 2026-09-21

Przegląd chemiczny: Dimethyl CarbonateMolGod_OVERVIEW_1
Wzór sumarycznyC3H6O3[1]
Masa cząsteczkowa90.08 g/mol[1]
Temperatura topnienia0.5 °C[1][2]
Temperatura wrzenia90.5 °C[1][2]
Density1.07 g/cm³[1]
LogP (lipofilowość)0.5[1]
Nazwa IUPACdimethyl carbonate[1]
SMILESCOC(=O)OC[1]
InChIKeyIEJIGPNLZYLLBP-UHFFFAOYSA-N[1]

Synonimy: Dimethyl carbonate · 616-38-6 · Methyl carbonate · Carbonic acid, dimethyl ester · Methyl carbonate ((MeO)2CO)

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-21

📚 Naukowe referencje (Chicago Author-Date) (2 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Wzór sumaryczny · Masa cząsteczkowa · Temperatura topnienia · Temperatura wrzenia · Density · LogP (lipofilowość) · Nazwa IUPAC · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. dotyczy: Temperatura topnienia · Temperatura wrzenia

BADANIA NAUKOWE

[1]Europe PMC2026
et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425
[2]Europe PMC2026
et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352
[3]Europe PMC2026
et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454
[4]Europe PMC2026
et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229
[5]Doaj2026
Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry.
[6]Europe PMC2026
(2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chrom
[7]Europe PMC2026
et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.j
[8]Europe PMC2025
(2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liqu
📚 Naukowe referencje (Chicago Author-Date) 20 refs · 3 baz

MOLECULE Bibliografia per-CAS (live z 13+ baz)

Źródła: db:Europe PMC (13) · db:doaj (3) · db:core (4)

  1. db:Europe PMC et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425
  2. db:Europe PMC et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352
  3. db:Europe PMC et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454
  4. db:Europe PMC et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229
  5. db:doaj Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry. https://doi.org/10.1016/j.greeac.2026.100380
  6. db:Europe PMC (2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chroma.2026.467318
  7. db:Europe PMC et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.jcis.2026.141303
  8. db:Europe PMC (2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography.". https://doi.org/10.1021/acsomega.4c11625
  9. db:doaj You Wang, Jiyun Ren, Qing Guo et al.. (2025). "Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC". Nano Research. https://doi.org/10.26599/NR.2025.94907553
  10. db:Europe PMC et al.. (2025). "Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C.". https://doi.org/10.1038/s41467-025-65623-0
  11. db:Europe PMC et al.. (2025). "Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis.". https://doi.org/10.1002/smll.202501780
  12. db:Europe PMC et al.. (2025). "Functional poly(ionic liquid) with unique zwitterionic structure as efficient catalyst for the conversion of ethylene carbonate to dimethyl carbonate.". https://doi.org/10.1002/smo.20240046
  13. db:Europe PMC et al.. (2025). "Adsorptive Separation, Interfacial Configuration, and Mechanism of Dimethyl Carbonate-Methanol Azeotrope onto α-Al2O3: Experimental and Molecular Simulations.". https://doi.org/10.1021/acsomega.4c10016
  14. db:Europe PMC et al.. (2025). "Synergistic Effects of Poly(ionic liquids)@MOF-808 Nanocomposites for Direct Conversion of Carbon Dioxide into Dimethyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c04812
  15. db:Europe PMC et al.. (2024). "Sustainable C-H Methylation Employing Dimethyl Carbonate.". https://doi.org/10.1021/acs.joc.4c01719
  16. db:doaj Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al.. (2018). "TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study". ACS Omega. https://doi.org/10.1021/acsomega.7b01475
  17. db:core Cui, Penglei, Wang, Xingxing, Zhang, Peng et al.. (2017). "Glycerol carbonate synthesis from glycerol and dimethyl carbonate using guanidine ionic liquids". Elsevier BV. https://doi.org/10.1016/j.cjche.2017.06.025
  18. db:core Shi, Wei-Jie, Guo, Hao, Li, Wen-Juan et al.. (2015). "N-heterocyclic carbene catalyzed synthesis of dimethyl carbonate via transesterification of ethylene carbonate with methanol". Springer. https://doi.org/10.1016/j.jscs.2014.03.003
  19. db:core Liu, Hongwei, Ke, Xuebin, Zheng, Zhanfeng et al.. (2014). "TiO2 nanofibers of different crystal phases for transesterification of alcohols with dimethyl carbonate". Elsevier. https://doi.org/10.1016/j.apcatb.2013.12.035
  20. db:core Saka, Shiro, Ilham, Zul. (2012). "Optimization of supercritical dimethyl carbonate method for biodiesel production". Elsevier Ltd.. https://doi.org/10.1016/j.fuel.2012.02.066
Status regulacyjny substancji
Ta substancja podlega wymogom regulacyjnym: gospodarka odpadami niebezpiecznymi (BDO). Szczegoly w sekcji "Status regulacyjny (REACH/ECHA/CLP)" oraz na karcie SDS. Informacja regulacyjna — nie ogranicza zakupu w sklepie.
🧮 Kalkulator stechiometrycznyMolGod_STOICH_1
🧪 Dane chemiczneMolGod_CHEMDATA_1
Numer CAS
616-38-6
Wzór sumaryczny
C3H6O3
Masa molowa
90.08 g/mol
Nazwa IUPAC (EN)
dimethyl carbonate
SMILES
COC(=O)OC
InChIKey
IEJIGPNLZYLLBP-UHFFFAOYSA-N
📚 Literatura naukowa (20 artykuł)MolGod_LITSCI_1
Filtruj:
Sortuj:
📈 Oś czasu publikacji
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📡 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. wrzenia
90.4
Temp. topnienia
-5.6
Density
1.065

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

🔍 Identyfikatory zewnętrzneMolGod_EXTID_1
12 z 16 systemów ID75%
BazaIdentyfikatorAkcje
CAS Registry Number616-38-6Otwórz →
PubChem CID12021[1]Otwórz →
InChIKeyIEJIGPNLZYLLBP-UHFFFAOYSA-N[1]Otwórz →
InChIInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3[1]
SMILESCOC(=O)OC[1]
EC Number210-478-4[2]Otwórz →
ChEMBLCHEMBL3185216[3]Otwórz →
HMDBHMDB0029580Otwórz →
ChemSpider11526[4]Otwórz →
UNII (FDA)KE9J097SPNOtwórz →
NSC Number (NCI)9371Otwórz →
WikiData QIDQ416254Otwórz →

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

📚 Naukowe referencje (Chicago Author-Date) (4 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. dotyczy: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. dotyczy: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. dotyczy: ChemSpider

Dalsza literatura

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

Bibliografia (rozszerzona) (6)

  1. ★★★★☆ OPENLIBRARY 🔓 OPEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. link [dostep: 2026-09-21] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Hwang, In Chan. 2026. "Measurement of Flash Point for Binary Systems of {Dimethyl carbonate+ n-Nonane} and {Dimethyl carbonate+ n-Decane} at 101.3 kPa." Korean Journal of Hazardous Materials 14 (1): 7-12. https://doi.org/10.31333/kihm.2026.4.1.2. link [dostep: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dimethyl Carbonate Synthesis via Transesterification of Propylene Carbonate Using a TitaniumPraseodymium-Based Catalyst.". https://doi.org/10.1021/acs.energyfuels.2c02235.s001. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Classical Chemical Dynamics Simulations of the Thermal Unimolecular Decomposition of Dimethyl Carbonate and Dimethyl Ether.". https://doi.org/10.1021/acs.jpca.5c01811.s001. link [dostep: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Carboxylic Anhydride Synthesis from Benzyllglutamate and Dimethyl Carbonate.". https://doi.org/10.1021/acs.orglett.8b03984.s001. link [dostep: 2026-09-23] CC0 (metadata)
📡 Spektroskopia — CAS 616-38-6MolGod_SPECHUB_MAIN
📊 Bazy widm spektroskopowych — dane inline 9 źródeł MolGod_SPECDB_2

Widma pobierane na żądanie z 9 źródeł. Każde widmo jest zapisywane w naszej bazie — kolejne otwarcie = zero zapytania do zewnętrznego API. Pobierz JCAMP-DX / CSV / PNG przy każdym widmie bez szukania.

IR IR (Infrared) — NIST WebBook
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📚 NIST Chemistry WebBook, SRD 69
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📚 NIST Standard Reference Database 1A
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📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
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📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
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📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
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Free for non-commercial

Źródło referencyjne — brak publicznego API. Otwórz w zewnętrznej bazie:

🔗 IR/NMR/MS (SDBS) →
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IR — Fourier-transform infrared

Ładowanie IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Ładowanie MS — Mass spectrometry (EI 70eV)…

Wlasciwosci strukturalneMolGod_STRUCT3D_1

Ladowanie danych strukturalnych...

❓ Najczęstsze pytania (3)MolGod_FAQ_1
What is 616-38-6?
616-38-6 (CAS 616-38-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Pomocne?
What is the CAS number of 616-38-6?
The CAS number for 616-38-6 is 616-38-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Pomocne?
How should 616-38-6 be stored?
616-38-6 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.
Pomocne?
➕ Zaproponuj pytanie
Pobierz pliki strukturyMolGod_STRDL_1

Pliki struktury molekularnej z bazy PubChem (NIH). Kompatybilne z programami: Avogadro, PyMOL, Jmol, ChemDraw.

Zrodlo: PubChem, National Library of Medicine (NIH). CID: 12021

🔄 Konwerter jednostek stężeń LIVE MolGod_UNITCONV_1

Wpisz stężenie Dimethyl Carbonate w dowolnej jednostce — reszta obliczy się automatycznie.

MW: 90.08 g/mol · IUPAC Gold Book ↗

⚗️ Wzory konwersji + cytacje (per formuła)
KonwersjaWzórDokładnośćŹródło
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen 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) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (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 ↔ molarityc (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 ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen 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 ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen 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 źródeł autorytatywnych)
  1. 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
  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). 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
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. 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
  6. 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)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. 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
Podobne struktury molekularneMolGod_SIMSTR_1

Ladowanie podobnych struktur...

Wyjasnienia naukoweMolGod_EDU3D_1

Automatycznie wygenerowane wyjasnienia na podstawie wlasciwosci molekularnych i oznaczen GHS. Zrodlo: dane PubChem + klasyfikacja CLP/GHS.

Czasteczka umiarkowanie polarna

LogP = 0.50 wskazuje na rownowage miedzy hydrofilowoscia a lipofilowoscia. Czasteczka moze rozpuszczac sie zarowno w wodzie, jak i w niektorych rozpuszczalnikach organicznych.

Interpretacja na podstawie XLogP3 (PubChem)
Mala czasteczka

Masa molowa 90.08 g/mol klasyfikuje ten zwiazek jako mala czasteczke. Male czasteczki czesto sa lotne, latwiej penetruja bariery biologiczne i moga wykazywac wyzsze cisnienie pary.

Klasyfikacja wg masy molowej
Ciecz wysoce latwopalna

Temperatura zaplonu ponizej 23 deg.C (temperatura wrzenia > 35 deg.C). Molekuly tej substancji latwiej ulegaja utlenieniu egzotermicznemu z powodu obecnosci grup funkcyjnych podatnych na oderwanie atomu wodoru lub rozerwanie slabych wiazan C-H.

Klasyfikacja GHS/CLP, kod H225
🧪 Kreator przygotowania roztworu WIZARD MolGod_PREP_1
① Wybierz stężenie
② Objętość docelowa
③ Rozpuszczalnik

Obliczenia wg: IUPAC Gold Book ↗, Merck ↗

Chemia obliczeniowaMolGod_COMPCHEM_1

Ladowanie danych obliczeniowych...

🛡️ Bezpieczeństwo — CAS 616-38-6MolGod_SAFEHUB_MAIN
Informacja o ograniczeniach danych. Informacje dotyczące bezpieczeństwa zawarte na tej stronie mają charakter informacyjny i nie zastępują pełnej karty charakterystyki (SDS). Przed użyciem produktu zapoznaj się z aktualną kartą charakterystyki producenta oraz wytycznymi GHS/CLP. Klasyfikacja CLP dotyczy czystej substancji bulk, nie preparatów handlowych.

Klasyfikacja GHS/CLP — Rozporządzenie (WE) nr 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Niebezpieczeństwo (Danger)
GHS02 — Łatwopalne
GHS02 Łatwopalne

🚨 Zwroty wskazujące rodzaj zagrożenia (H)

  • H225 — Wysoce łatwopalna ciecz i pary

🛡 Zwroty określające środki ostrożności (P)

  • P210 — Przechowywać z dala od źródeł ciepła, gorących powierzchni, źródeł iskrzenia, otwartego ognia i innych źródeł zapłonu. Nie palić
  • P203 — Przed użyciem uzyskać, przeczytać i postępować zgodnie ze wszystkimi instrukcjami dotyczącymi bezpieczeństwa

✓ Klasyfikacja zharmonizowana zgodnie z załącznikiem VI do rozporządzenia CLP (WE) 1272/2008 (klasyfikacja urzędowa, wiążąca). Numer indeksowy: 607-013-00-6.

Referencja (Chicago): European Chemicals Agency. "dimethyl carbonate, Index No. 607-013-00-6." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Tłumaczenia: Rozporządzenie CLP (WE) 1272/2008, Załącznik III i IV. Dane: PubChem/NLM.

📚 Skonsolidowane referencje naukowe — Chicago Author-Date 10 źródeł

Referencje zebrane ze wszystkich zakładek Safety Hub. CAS: 616-38-6 · PubChem ↗

  1. 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, Regulacje
  2. 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
  3. 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
  4. 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
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. 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

Zakładki z własnymi referencjami (Emergency, PPE, Storage, Waste) zawierają dodatkowe pozycje bibliograficzne wewnątrz swoich sekcji.

📈 Statystyka analityczna (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Wklej serię powtórzeń pomiarów (CSV lub po jednej liczbie w linii). Kalkulator policzy średnią, odchylenie, 95% CI, wykryje outliery (Grubbs + Dixon Q).

Separator: przecinek, spacja, tab, nowa linia. Min 3 pomiary.
📐 Formuły statystyczne
  • x̄ = Σxᵢ / n — średnia arytmetyczna
  • s² = Σ(xᵢ - x̄)² / (n-1) — wariancja próby
  • s = √s² — odchylenie standardowe
  • RSD% = (s / x̄) × 100% — względne odchylenie
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test Grubbsa
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Kalkulator receptur buforów UNIKALNE

Wybierz bufor z listy 20 popularnych systemów → wprowadź docelowe pH → otrzymasz dokładny przepis z masami do odważenia.

Krok 1: Wybierz system buforowy

📜 Historia przepisów (ostatnie 10)
Status farmakologiczny

Prekliniczny

Faza I
Faza II
Faza III
Dopuszczony

Przedkliniczny — brak danych z badań na ludziach.

ChEMBL CHEMBL3185216 ↗

Bibliografia (rozszerzona) (6)

  1. ★★★★☆ OPENLIBRARY 🔓 OPEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. link [dostep: 2026-09-21] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Hwang, In Chan. 2026. "Measurement of Flash Point for Binary Systems of {Dimethyl carbonate+ n-Nonane} and {Dimethyl carbonate+ n-Decane} at 101.3 kPa." Korean Journal of Hazardous Materials 14 (1): 7-12. https://doi.org/10.31333/kihm.2026.4.1.2. link [dostep: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dimethyl Carbonate Synthesis via Transesterification of Propylene Carbonate Using a TitaniumPraseodymium-Based Catalyst.". https://doi.org/10.1021/acs.energyfuels.2c02235.s001. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Classical Chemical Dynamics Simulations of the Thermal Unimolecular Decomposition of Dimethyl Carbonate and Dimethyl Ether.". https://doi.org/10.1021/acs.jpca.5c01811.s001. link [dostep: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Carboxylic Anhydride Synthesis from Benzyllglutamate and Dimethyl Carbonate.". https://doi.org/10.1021/acs.orglett.8b03984.s001. link [dostep: 2026-09-23] CC0 (metadata)
🚚 Klasyfikacja transportowa (ADR / IATA / IMDG) UN 1161
UN Number
UN 1161
UN number according to the indicated source. The transport class and packing group must be verified in ADR Table A / the UN Model Regulations before shipment. Suggested from the GHS classification — REQUIRES VERIFICATION.
Źródło: Karta SDS sek.14 (kanon zmaterializowany)

🛣️ ADR Transport drogowy

Klasa:
Grupa pakowania:
Nazwa wysyłkowa:
📅 Project Planner — Lab experiment manager NOWOŚĆ

Zaplanuj cały projekt laboratoryjny: dodaj eksperymenty z reagentami, powtórzeniami i czasem trwania. Otrzymasz wykres Gantta, listę zakupów (linki do sklepu!), budżet z 10% marginesem i macierz ryzyka GHS.

🧪 Rozpuszczalność i kompatybilność z solwentami MolGod_SOLUB_1
Molekuła
Dimethyl Carbonate
Wzór
C3H6O3
logP (XLogP3)
0.50
Masa (g/mol)
90.08
Polarność
Umiarkowana

⚠️ Estymacja GC (Hoftyzer-Van Krevelen). Brak danych literaturowych HSP dla tego CAS — precyzja ±2 MPa½. Weryfikuj eksperymentalnie.

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..

Solwent Kompat. Ra Wizual GC-MS HPLC Zastosowania Referencje
Water (H₂O)miscible
✗ NieA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)brak podstawy✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)brak podstawy✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetonebrak podstawy✗ NieB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)brak podstawy✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSObrak podstawy✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THFbrak podstawy✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)brak podstawy✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)brak podstawy✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexanebrak podstawy✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluenebrak podstawy✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Naukowe referencje dla solwentów (Chicago Author-Date) — kliknij aby rozwinąć

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

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria rozpuszczalności (zastosowane w przewidywaniu kompatybilności):
  1. 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).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + wzór Ra.
  3. 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
  4. 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.
  5. 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.
  6. 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.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Kompletny tabularny zestaw 250+ rozpuszczalników (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 616-38-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Sprawdź kompatybilność reakcji MolGod_RXNCOMP_1
0 3 0
Zdrowie: 0/4
Palność: 3/4
Reaktywność: 0/4
Wg NFPA 704 / obliczone z H-codes

Sprawdź czy Dimethyl Carbonate jest kompatybilny z innym odczynnikiem

📦 Matryca kompatybilności przechowywania
Kwasy Zasady Utleniacze Łatwopalne Toksyczne Gazy
Kwasy
Zasady
Utleniacze
Łatwopalne
Toksyczne
Gazy
✓ Można razem · ⚠ Ostrożnie · ✗ NIE przechowywać razem · OSHA Chemical Segregation ↗

Dane kompatybilności z: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Kalkulatory laboratoryjne (8) MolGod_LABCALC_1
Rozcieńczenie (C₁V₁=C₂V₂)
Molarność (M=n/V)
pH Bufor (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masa → Mole
Stężenie % → M
ppm → mg/L
Temperatura C↔F↔K

Formuły zweryfikowane: IUPAC Gold Book ↗, DOI ↗

📊 Bazy widm spektroskopowych MolGod_SPECDB_3
📋 Generator protokołu laboratoryjnego MolGod_PROTOCOL_1

Protokół wygenerowany na podstawie: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generator etykiety (QR) MolGod_LABEL_1
Dimethyl Carbonate• Methyl carbonate / Loxoprofen Impurity 21• IUPAC: dimethyl carbonate• CAS: 616-38-6• EC: 210-478-4• Wzór: C3H6O3• Masa: 90.08 g/molNIEBEZPIECZEŃSTWOZwroty wskazujące rodzaj zagrożenia (H):H225P203 P210WYŁĄCZNIE DO CELÓW LABORATORYJNYCH!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

Wykres radarowy drug-likeness (Lipinski Ro5 / Veber). Strefa zielona = zgodność z kryteriami.

Dane predykcyjne — właściwości obliczone in silico (SMILES/RDKit). Nie zastępują badań klinicznych. Nie używaj do oceny leków bez weryfikacji eksperymentalnej.

MW90.1LogP0.5HBD0HBA3RotB2TPSA35.5 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=90)✗ REOS (MW=90)✓ Lead-like Ro3
WłaściwośćWartośćOcena
Wchłanianie (GI)wysokie
Przepuszczalność BBBtak (przenika)
Biodostępność (Daina 2017)
55%
Profil CYP450CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
Alerty PAINS0
Alerty Brenka0
pKa (pH 7.4)4.5 (predicted)
hERG (kardiotoks.)✓ nie
P-gp substrat
Ames mutagenność✓ nie
DILI (wątrobok.)
LogS (rozp. wod.)
Źródła (metodologia ADMET)
  1. 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.
  2. 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.
  3. 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.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. 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.
  6. 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.
  7. 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.
  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.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. 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.
  11. 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.
  12. 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.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. 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.
  15. 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.
  16. 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.
  17. 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.
  18. 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.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425
  22. et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352
  23. et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454
  24. et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229
  25. Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry. https://doi.org/10.1016/j.greeac.2026.100380
  26. (2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chroma.2026.467318
  27. et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.jcis.2026.141303
  28. (2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography.". https://doi.org/10.1021/acsomega.4c11625
  29. You Wang, Jiyun Ren, Qing Guo et al.. (2025). "Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC". Nano Research. https://doi.org/10.26599/NR.2025.94907553
  30. et al.. (2025). "Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C.". https://doi.org/10.1038/s41467-025-65623-0
  31. et al.. (2025). "Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis.". https://doi.org/10.1002/smll.202501780
  32. et al.. (2025). "Functional poly(ionic liquid) with unique zwitterionic structure as efficient catalyst for the conversion of ethylene carbonate to dimethyl carbonate.". https://doi.org/10.1002/smo.20240046
  33. et al.. (2025). "Adsorptive Separation, Interfacial Configuration, and Mechanism of Dimethyl Carbonate-Methanol Azeotrope onto α-Al2O3: Experimental and Molecular Simulations.". https://doi.org/10.1021/acsomega.4c10016
  34. et al.. (2025). "Synergistic Effects of Poly(ionic liquids)@MOF-808 Nanocomposites for Direct Conversion of Carbon Dioxide into Dimethyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c04812
  35. et al.. (2024). "Sustainable C-H Methylation Employing Dimethyl Carbonate.". https://doi.org/10.1021/acs.joc.4c01719
  36. Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al.. (2018). "TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study". ACS Omega. https://doi.org/10.1021/acsomega.7b01475
  37. Cui, Penglei, Wang, Xingxing, Zhang, Peng et al.. (2017). "Glycerol carbonate synthesis from glycerol and dimethyl carbonate using guanidine ionic liquids". Elsevier BV. https://doi.org/10.1016/j.cjche.2017.06.025
  38. Shi, Wei-Jie, Guo, Hao, Li, Wen-Juan et al.. (2015). "N-heterocyclic carbene catalyzed synthesis of dimethyl carbonate via transesterification of ethylene carbonate with methanol". Springer. https://doi.org/10.1016/j.jscs.2014.03.003
  39. Liu, Hongwei, Ke, Xuebin, Zheng, Zhanfeng et al.. (2014). "TiO2 nanofibers of different crystal phases for transesterification of alcohols with dimethyl carbonate". Elsevier. https://doi.org/10.1016/j.apcatb.2013.12.035
  40. Saka, Shiro, Ilham, Zul. (2012). "Optimization of supercritical dimethyl carbonate method for biodiesel production". Elsevier Ltd.. https://doi.org/10.1016/j.fuel.2012.02.066
  41. Mohamed A. Abdelaziz, Neil D. Danielson. 2026. "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier." Green Analytical Chemistry. DOI: 10.1016/j.greeac.2026.100380. [DOI ↗]
  42. Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John.
  43. Hwang, In Chan. 2026. "Measurement of Flash Point for Binary Systems of {Dimethyl carbonate+ n-Nonane} and {Dimethyl carbonate+ n-Decane} at 101.3 kPa." Korean Journal of Hazardous Materials. DOI: 10.31333/kihm.2026.4.1.2. [DOI ↗]
  44. Hwang, In Chan. 2026. "Measurement of Flash Point for Binary Systems of {Dimethyl carbonate+ n-Nonane} and {Dimethyl carbonate+ n-Decane} at 101.3 kPa." Korean Journal of Hazardous Materials 14 (1): 7-12. https://doi.org/10.31333/kihm.2026.4.1.2. [DOI ↗]
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  50. "Electrochemically Generated Copper Carbonyl for Selective Dimethyl Carbonate Synthesis." DOI: 10.1021/acscatal.8b03682.s001. [DOI ↗]
  51. "Densities and Surface Tensions of Trimethylbenzene + Dimethyl Carbonate or + Diethyl Carbonate at 298.15 K and 313.15 K." DOI: 10.1021/je060137q.s001. [DOI ↗]
  52. Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. [DOI ↗]
  53. Anonymous. "Dimethyl Carbonate Synthesis via Transesterification of Propylene Carbonate Using a TitaniumPraseodymium-Based Catalyst.". https://doi.org/10.1021/acs.energyfuels.2c02235.s001. [DOI ↗]
  54. Anonymous. "Classical Chemical Dynamics Simulations of the Thermal Unimolecular Decomposition of Dimethyl Carbonate and Dimethyl Ether.". https://doi.org/10.1021/acs.jpca.5c01811.s001. [DOI ↗]
  55. Anonymous. "Carboxylic Anhydride Synthesis from Benzyllglutamate and Dimethyl Carbonate.". https://doi.org/10.1021/acs.orglett.8b03984.s001. [DOI ↗]
  56. et al. 2026. "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol." DOI: 10.1021/acsnano.5c19425. [DOI ↗]
  57. et al. 2026. "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate." DOI: 10.1002/anie.4274352. [DOI ↗]
  58. 2025. "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography." DOI: 10.1021/acsomega.4c11625. [DOI ↗]
  59. You Wang, Jiyun Ren, Qing Guo et al. 2025. "Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC." Nano Research. DOI: 10.26599/NR.2025.94907553. [DOI ↗]
  60. et al. 2025. "Indirect methanol synthesis from CO<sub>2</sub> through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C." DOI: 10.1038/s41467-025-65623-0. [DOI ↗]
  61. et al. 2025. "Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis." DOI: 10.1002/smll.202501780. [DOI ↗]
  62. et al. 2025. "Adsorptive Separation, Interfacial Configuration, and Mechanism of Dimethyl Carbonate-Methanol Azeotrope onto α-Al<sub>2</sub>O<sub>3</sub>: Experimental and Molecular Simulations." DOI: 10.1021/acsomega.4c10016. [DOI ↗]
  63. Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al. 2018. "TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study." ACS Omega. DOI: 10.1021/acsomega.7b01475. [DOI ↗]
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  73. et al. 2026. "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism." DOI: 10.1021/acsomega.6c02229. [DOI ↗]
  74. et al. 2025. "Functional poly(ionic liquid) with unique zwitterionic structure as efficient catalyst for the conversion of ethylene carbonate to dimethyl carbonate." DOI: 10.1002/smo.20240046. [DOI ↗]
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📚 Przegląd literatury naukowej — CAS 616-38-6MolGod_LITHUB_MAIN
⭐ Najważniejsze odkrycia (literatura naukowa) 20 publikacji
🏆 CAS 616-38-6 — multi-criteria ranking (W12): 30% cytowania · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Oktawia Kalisz; Martina Catani; Szymon Bocian (2025) · ACS Omega
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 11.19 Analityka Citations: 6 Open Access DOI ↗ PubMed ↗
  2. #2
    Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al. (2018) · ACS Omega
    Dlaczego ważne: 121 citations · open access
    SCORE 10.91 Mechanizm Citations: 121 Open Access DOI ↗
  3. #3
    et al. (2025) · Nature Communications
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 10.46 Mechanizm Citations: 3 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2025) · Smart Molecules
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 10.08 Mechanizm Citations: 2 Open Access DOI ↗ PubMed ↗
  5. #5
    You Wang, Jiyun Ren, Qing Guo et al. (2025) · Nano Research
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 9.95 Mechanizm Citations: 4 Open Access DOI ↗
  6. #6
    et al. (2025) · Small
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 8.86 Mechanizm Citations: 3 Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2026) · Angewandte Chemie International Edition
    Dlaczego ważne: Aktualna (2026) · open access
    SCORE 8.65 Mechanizm Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · ACS Omega
    Dlaczego ważne: Aktualna (2026) · open access
    SCORE 7.05 Mechanizm Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2025) · ACS Omega
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 7.05 Mechanizm Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2026) · ACS Omega
    Dlaczego ważne: Aktualna (2026) · open access
    SCORE 6.25 Mechanizm Open Access DOI ↗ PubMed ↗
  11. #11
    Mohamed A. Abdelaziz, Neil D. Danielson (2026) · Green Analytical Chemistry
    Dlaczego ważne: Aktualna (2026) · open access
    SCORE 6.25 Analityka Open Access DOI ↗
  12. #12
    et al. (2025) · Langmuir
    Dlaczego ważne: Aktualna (2025)
    SCORE 5.6 Mechanizm DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Journal of Colloid and Interface Science
    Dlaczego ważne: Aktualna (2026)
    SCORE 5.6 Mechanizm DOI ↗ PubMed ↗
  14. #14
    et al. (2026) · ACS Nano
    Dlaczego ważne: Aktualna (2026)
    SCORE 5.43 Mechanizm Citations: 2 DOI ↗ PubMed ↗
  15. #15
    Shi, Wei-Jie, Guo, Hao, Li, Wen-Juan et al. (2015) · Springer
    Dlaczego ważne: Open access
    SCORE 5.35 Mechanizm Open Access DOI ↗
  16. #16
    Cui, Penglei, Wang, Xingxing, Zhang, Peng et al. (2017) · Elsevier BV
    Dlaczego ważne: Open access
    SCORE 5.15 Mechanizm Open Access DOI ↗
  17. #17
    et al. (2024) · The Journal of Organic Chemistry
    Dlaczego ważne: Aktualna (2024)
    SCORE 4.8 Farmakologia DOI ↗ PubMed ↗
  18. #18
    Rebecca Gibkes; Gert Desmet; Ken Broeckhoven (2026) · Journal of Chromatography A
    Dlaczego ważne: Aktualna (2026)
    SCORE 4.8 Analityka DOI ↗ PubMed ↗
  19. #19
    Liu, Hongwei, Ke, Xuebin, Zheng, Zhanfeng et al. (2014) · Elsevier
    Dlaczego ważne: Open access
    SCORE 4.25 Mechanizm Open Access DOI ↗
  20. #20
    Saka, Shiro, Ilham, Zul (2012) · Elsevier Ltd.
    Dlaczego ważne: Open access
    SCORE 2.85 Mechanizm Open Access DOI ↗
🔬 HPLC — metody i parametry — CAS 616-38-6MolGod_HPLCHUB_MAIN
📈 Gradient HPLC — optymalizator (LSS) SZABLON

Gradient oparty na PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Kolumna: C18
  • Bufor: phosphate
  • Przepływ: 1 mL/min
  • logP: 0.5 (PubChem XLogP3)
  • Rampa: 9% → 95% B, 10 min
  • Całkowity czas analizy: 23 min
t (min) %A %B flow (mL/min) Komentarz
0 91 9 1 start (równowaga)
2 91 9 1 koniec hold init
12 5 95 1 koniec rampy LSS
17 5 95 1 mycie kolumny
18 91 9 1 powrót do init
23 91 9 1 reekwilibracja
📚 Naukowe referencje (Chicago Author-Date)
  1. 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).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. 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.
  4. 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.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. 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.
  7. 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 ↗]
  8. 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).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. 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/616-38-6

📐 Wymiary kolumny — kalkulator van Deemter N=12,466

Wzór: 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).

Wymiary150 × 4.6 mm, 5 µm
Płyty teoretyczne (N)12,466
N przy u_opt12,500
HETP (obecna)12.032 µm
HETP min12 µm
Prędkość liniowa (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
Ciśnienie wsteczne (ΔP)42.1 bar
Czas analizy (mart-vol)2.49 min
📚 Naukowe referencje (Chicago Author-Date)
  1. 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.
  2. 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).
  3. 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.
  4. 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.
  5. 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).
  6. 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.
  7. 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).
  8. 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.
  9. Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/616-38-6

🧪 Faza ruchoma — macierz kompatybilności MISCIBLE
Składnik Nazwa UV cutoff (nm) P' Detektory
Rozp. Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
Rozp. Water 190 10.2 UV, MS, ELSD, RID, FLD
Bufor Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

Detektor: UV — kompatybilny z oboma rozpuszczalnikami.

📚 Naukowe referencje (Chicago Author-Date)
  1. Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
  2. 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
  3. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
  4. 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
  5. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
  6. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
  7. 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
  8. 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
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

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

Kompletny przewodnik po metodzie HPLC Recenzowane

Scenariusze specyficzne dla cząsteczki, rozwiązywanie problemów i odniesienia literaturowe

Molecular Predictor

The predicted parameters for this molecule (CAS 616-38-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
2.45 min
Range: 1.72 – 3.19
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 5.551 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
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.

Prawdziwy problem chemika

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

Jak to rozwiązujemy

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

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

3

Consumption Calculator

4

Shopping List

One-click add to cart

Kalkulator interaktywny

Deep Education

Zrozumieć chemię fazy ruchomej

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 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.

1. Solwenty — ACN vs MeOH

Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika
Total/quarter

2. Kolumna — z guard vs bez

Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj
Main column lifetime2000 inj500 inj
Columns / quarter
Guards / quarter
Downtime wymiany (h)
Total/quarter

3. Method development — SOP vs scratch

Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 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/sample5 min23 min
Samples/8h shift
Shifts potrzebnych
Koszt pracy
Savings
Total annual savings:

Najczęściej zadawane pytania

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=90.08, CAS 616-38-6) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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: 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

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

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

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 endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

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 kw − 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.

Najczęściej zadawane pytania

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

Source: Snyder Seminar

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

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla dimethyl carbonate (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

Column Choice Dilemma

Your First HPLC Analysis Ever

Jesteś na 2. roku chemii. Professor powiedział: "Przeanalizuj tę próbkę kwasu benzoesowego". Nigdy nie używałaś HPLC. W labie stoi Agilent 1260, ale nikt nie wie jak go włączyć.

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

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

C

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

Najczęściej zadawane pytania

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=90.08 (CAS 616-38-6) use a standard C18 100 Å column.

Source: Phenomenex Guide

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

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

Detection Gotcha

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?

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja 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.

Validation Reality Check

Batch release testing per GMP

Release of 5 batches per month. The method must meet USP , ICH Q2(R1), FDA 2015 Guidance. Auditable documentation.

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% 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 (Rs) &geq; 2.0
  • Tailing factor (Tf) &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

Najczęściej zadawane pytania

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

Source: USP Online

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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla dimethyl carbonate (CAS 616-38-6) 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

Prep Mistakes That Ruined The Run

What is „system suitability" and do I have to do it?

The teacher said „run an SST". You have no idea what that is. The USP method has a checklist — 4 parameters. Which are critical?

Sample Prep Protocol

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

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

Analiza powypadkowa — prawdziwe historie porażek Wnioski

Prawdziwe wpadki chemików — co się stało, co pomogło, czego unikać.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5
Co się stało:

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.

💡 Lekcja:

Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5
Co się stało:

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Ask about this method

Cześć — jestem wytrenowany na wszystkich scenariuszach, FAQ i literaturze dla tej metody. Zapytaj mnie o cokolwiek.

Share your scenario

Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

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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 616-38-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Methyl acetate
Ta sama kategoria · Ta sama kategoria produktu
Methyl methacrylate (MMA)
Ta sama kategoria · Ta sama kategoria produktu
🧪
Sec-butyl acetate
Ta sama kategoria · Ta sama kategoria produktu
Triacetin
Ta sama kategoria · Ta sama kategoria produktu
Vinyl acetate
Ta sama kategoria · Ta sama kategoria produktu
📄 Certyfikaty Analiz (CoA) CAS 616-38-6 brak MolGod_COA_2

Brak certyfikatów dla tego produktu w bazie.

📚 Naukowe referencje (Chicago Author-Date) — kliknij aby rozwinąć

Standardy zarządzania batchami i certyfikacji laboratoryjnej — 13 niezależnych źródeł (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. 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
  2. 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
  3. 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
  4. 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
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. 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)
  9. 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 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. 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
  13. 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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Bibliografia (rozszerzona) (6)

  1. ★★★★☆ OPENLIBRARY 🔓 OPEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. link [dostep: 2026-09-21] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Hwang, In Chan. 2026. "Measurement of Flash Point for Binary Systems of {Dimethyl carbonate+ n-Nonane} and {Dimethyl carbonate+ n-Decane} at 101.3 kPa." Korean Journal of Hazardous Materials 14 (1): 7-12. https://doi.org/10.31333/kihm.2026.4.1.2. link [dostep: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dimethyl Carbonate Synthesis via Transesterification of Propylene Carbonate Using a TitaniumPraseodymium-Based Catalyst.". https://doi.org/10.1021/acs.energyfuels.2c02235.s001. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Classical Chemical Dynamics Simulations of the Thermal Unimolecular Decomposition of Dimethyl Carbonate and Dimethyl Ether.". https://doi.org/10.1021/acs.jpca.5c01811.s001. link [dostep: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Carboxylic Anhydride Synthesis from Benzyllglutamate and Dimethyl Carbonate.". https://doi.org/10.1021/acs.orglett.8b03984.s001. link [dostep: 2026-09-23] CC0 (metadata)
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📚 REFERENCJE (Bibliografia zbiorcza, Chicago Author-Date) 121 items

Wszystkie źródła naukowe cytowane w akordeonach powyżej dla CAS 616-38-6. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Bazy danych naukowych

  1. NIST. n.d. NIST Chemistry WebBook: CAS 616-38-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=616-38-6.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 616-38-6. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. 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.
  4. PubChem. n.d. PubChem Compound Summary: CAS 616-38-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=616-38-6.

📐 Standardy / Wytyczne

  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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.
  8. 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.
  9. 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.

📖 Książki

  1. 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.
  2. 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.
  3. 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.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Artykuły naukowe (peer-reviewed)

  1. 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.
  2. 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.

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