Musk Pure (CAS 1222-05-5) is a chemical compound with the molecular formula C18H26O and a molar mass of 258.4 g/mol. Chemical data from PubChem (National Institutes of Health, USA).

What is the CAS number of Musk Pure?

The CAS number (Chemical Abstracts Service) for Musk Pure is 1222-05-5.

What is the chemical formula of Musk Pure?

The molecular formula of Musk Pure is C18H26O. IUPAC name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.

Where to buy Musk Pure (CAS 1222-05-5)?

Musk Pure (CAS 1222-05-5) is available at Eapearl Chemical: https://epchems.online/products/musk-pure/. Current price and availability information can be found on the product page.

Musk Pure

Abbalibe

CAS 1222-05-5 EC 214-946-9 C18H26O Other

📄 Download SDS Card (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v1 · 22.09.2026

Specification

Product Name	Musk Pure
Other Names	Abbalibe
CAS No.	1222-05-5
EINECS No.	214-946-9
MF	C18H26O
Molecular weight	258.4
Purity	99%
Appearance	A colorless to slightly yellowish viscous liquid
Density	1.044 g/ L at 25 °C
Melting point	57-58° °C
Boiling point	304°C (lit.)
Flashing point	230°F

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

Musk Pure(CAS 1222-05-5) is a high-purity fragrance ingredient with excellent stability, long-lasting aroma, and good compatibility. It appears as a colorless to light yellow liquid or crystalline substance at room temperature with a characteristic musk fragrance. With stable chemical properties, it shows strong compatibility with various fragrance and formulation systems. Our Musk Pure is mainly supplied as industrial or cosmetic grade with strict quality control, low impurity content, and stable performance. It is widely used in perfumes, personal care products, and detergent formulations. As a key raw material in fragrance and daily chemical industries, it ensures long-lasting scent and stable performance in various applications.

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Product Description

Musk Pure is an important high-purity fragrance ingredient widely used in the personal care, detergent, and fragrance industries.It has excellent stability, long-lasting aroma, and good compatibility, making it an essential component in fragrance formulations.It appears as a colorless to light yellow liquid or crystalline substance at room temperature with a characteristic musk odor. Our Musk Pure is produced as cosmetic or industrial grade with high purity, strict control of impurities and odor consistency, ensuring stable and consistent quality for industrial use.

Musk Pure is mainly used in perfumes and personal care products, usually blended with other fragrance components to enhance scent diffusion, longevity, and overall fragrance performance.It is also applied in detergents, air fresheners, and household products as a mild and efficient fragrance ingredient. In usage, Musk Pure is mixed evenly with other components under controlled conditions to ensure uniform fragrance distribution and stability.It is widely applied in perfumes, cosmetics, and cleaning products. With long-lasting fragrance and stable performance, Musk Pure has become an indispensable basic material in modern fragrance and daily chemical industries.

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Delivery&Payment method

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Frequently asked

In what packaging is Musk Pure 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 Musk Pure?

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%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Musk Pure

Galaxolide as a raw material: form, carrier, documents

A polycyclic musk bought as a solution, not as a neat solid. What the carrier changes, and how…

Article

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🧬 3D Molecule Visualizer

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

📊 Physicochemical data — CAS 1222-05-5MolGod_PROPHUB_MAIN

📊 Physicochemical properties

Quick Reference

Formula: C₁₈H₂₆O

MW: 258.4 g/mol

CAS: 1222-05-5

🔬 Advanced Properties

Chemical Identifiers

SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C

Last updated: 2026-09-21

Property	Value	Unit	Conditions	Source
Boiling point	128	°C		No primary source
Water solubility	0.002	g/L	25°C	No primary source
logP (octanol/water)	4.8	—		No primary source

Chemical Overview: GalaxolideMolGod_OVERVIEW_1

Molecular formula	C₁₈H₂₆O^[1]
Molecular weight	258.4 g/mol^[1]
Boiling point	128 °C
LogP (lipophilicity)	4.8^[1]
IUPAC name	4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene^[1]
SMILES	`CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C`^[1]
InChIKey	`ONKNPOPIGWHAQC-UHFFFAOYSA-N`^[1]

Synonyms: Galaxolide · 1222-05-5 · Abbalide · Galoxolide · HHCB

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

📚 Scientific references (Chicago Author-Date) (1 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecular formula · Molecular weight · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey

SCIENTIFIC RESEARCH

[1]PubMed2023

Galaxolide and Irgacure 369 are novel environmental androgens.

Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329

[2]PubMed2023

Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.

Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. h

[3]PubMed2023

Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.

Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.

[4]PubMed2022

Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.

Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and enviro

[5]PubMed2022

Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.

Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2

[6]PubMed2021

Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.

Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.

[7]PubMed2019

Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.

Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.sci

[8]PubMed2018

Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.

Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for th

📚 Scientific references (Chicago Author-Date) 8 refs · 1 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:pubmed (8)

db:pubmed Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329 →
db:pubmed Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139 →
db:pubmed Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477 →
db:pubmed Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093 →
db:pubmed Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667 →
db:pubmed Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960 →
db:pubmed Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005 →
db:pubmed Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075 →

Regulatory status of the substance

This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.

🧮 Stoichiometry CalculatorMolGod_STOICH_1

🧪 Chemical DataMolGod_CHEMDATA_1

CAS Number: 1222-05-5
Molecular formula: C18H26O
Molar mass: 258.4 g/mol
IUPAC name (EN): 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N

📡 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

Density: 1.005

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

🔍 External identifiersMolGod_EXTID_1

12 of 16 ID systems75%

Database	Identifier	Actions
CAS Registry Number	1222-05-5	Open →
PubChem CID	91497^[1]	Open →
InChIKey	ONKNPOPIGWHAQC-UHFFFAOYSA-N^[1]	Open →
InChI	InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(1…^[1]
SMILES	CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C^[1]
EC Number	214-946-9^[2]	Open →
ChEMBL	CHEMBL1883305^[3]	Open →
HMDB	HMDB0244470	Open →
ChemSpider	82618^[4]	Open →
MeSH UID (NLM)	C033119	Open →
UNII (FDA)	14170060AT	Open →
WikiData QID	Q2268349	Open →

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

📚 Scientific references (Chicago Author-Date) (4 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
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.

Extended Bibliography (3)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. link [accessed: 2026-09-23] CC0 (metadata)

📡 Spectroscopy — CAS 1222-05-5MolGod_SPECHUB_MAIN

📊 Spectroscopic spectra databases — inline data 9 sources MolGod_SPECDB_2

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook

Public domain (US Federal)

▶ Click to load spectrum

🔗 Source

— points

📚 NIST Chemistry WebBook, SRD 69

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

Public domain (US Federal)

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🔗 Source

— points

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ Click to load spectrum

🔗 Source

— points

📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

CC-BY-SA 4.0

▶ Click to load spectrum

🔗 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

▶ Click to load spectrum

🔗 Source

— 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

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →

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

JP Monograph Japanese Pharmacopoeia — Monographs

Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →

📚 Japanese Pharmacopoeia 18th Edition (2021)

WHO INN WHO — International Nonproprietary Names

WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →

📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →

📚 DOAJ — doaj.org

🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum. ⓘ Single source ★★☆☆☆

IR — Fourier-transform infrared

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MS — Mass spectrometry (EI 70eV)

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Structural propertiesMolGod_STRUCT3D_1

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❓ Frequently asked questions (3)MolGod_FAQ_1

What is 1222-05-5?

1222-05-5 (CAS 1222-05-5) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Helpful?

What is the CAS number of 1222-05-5?

The CAS number for 1222-05-5 is 1222-05-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Helpful?

How should 1222-05-5 be stored?

1222-05-5 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.

Helpful?

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Download structure filesMolGod_STRDL_1

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 More formats (PubChem)

Source: PubChem, National Library of Medicine (NIH). CID: 91497

🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Galaxolide concentration in any unit — the rest will be calculated automatically.

MW: 258.4 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)

Conversion	Formula	Accuracy	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)

📚 Bibliography (8 authoritative sources)

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

Similar molecular structuresMolGod_SIMSTR_1

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🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1

① Select concentration

② Target volume

③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistryMolGod_COMPCHEM_1

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🛡️ Safety — CAS 1222-05-5MolGod_SAFEHUB_MAIN

Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Warning

GHS09 Environmental hazard

🚨 Hazard statements (H)

H400 — Very toxic to aquatic life
H410 — Very toxic to aquatic life with long lasting effects

🛡 Precautionary statements (P)

P273 — Avoid release to the environment
P203 — Obtain, read and follow all safety instructions before use

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 603-212-00-7.

Reference (Chicago): European Chemicals Agency. "1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran; galaxolide; (HHCB), Index No. 603-212-00-7." 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.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

♻️ Chemical waste disposal Environmental hazard

📋 EWC code (European Waste Catalogue):
16 05 06* Laboratory and analytical chemicals (reagents) containing hazardous substances

A code with an asterisk (*) = hazardous waste requiring BDO registration + a transport protocol (Waste Transfer Card).

🌍 Environmental hazard: YES

💧 Risk of water contamination: YES

🌱 Risk of soil contamination: YES

🚫 NOT down the drain: YES

⚠️ Large spill — HAZMAT response: YES

📚 Scientific references (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) — 6-digit EWC codes + asterisk for hazardous
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 ↗] — Polish waste catalogue — implementation of Decision 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Central register of the Polish Waste Database (BDO) — full list of companies authorised for waste management
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 ↗] — National act — defines the waste producer's obligations + registration in the Polish Waste Database (BDO)
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Laboratory waste classification + segregation procedures (Waste Management chapter); EN 374:2013 glove standards for personnel handling hazardous waste.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Per-CAS waste classification + incompatibilities — input for EWC mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reactivity + storage compatibility of waste (oxidisers vs flammables — separate streams).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — basis for the PPE required during waste transport (KPO — Waste Transfer Card).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — training + PPE for handling hazardous waste.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Waste management hierarchy (prevention → recovery → disposal); defines "hazardous waste".
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 ↗] — CLP H-statement classification → mapping to EWC * (asterisk = hazardous).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — requirements for transporting hazardous waste (KPO — Waste Transfer Card + UN number + classes 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — International guidelines for neutralisation + disposal 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 ↗] — Cross-border transfer of hazardous waste — notification + consent requirements before export

📋 Regulatory compliance checklist Environmental hazard 1 required 7 items

ℹ️ Regulatory obligations checklist for CAS 1222-05-5. Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis).

✅ SDS (Safety Data Sheet) available fulfilled

How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format.

Legal basis: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Source / form ↗
▣ Compliant CLP label (pictograms + signal word + H/P) required

How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). For this substance a HARMONISED CLASSIFICATION applies (CLP Annex VI) — see below; it takes precedence over self-classification.

Legal basis: Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)

Harmonised classification (CLP Annex VI): Aquatic Acute 1, Aquatic Chronic 1 — H400, H410 · Index 603-212-00-7
📎 Source / form ↗
❓ ADR transport (international agreement) to be verified

How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS).

Legal basis: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Source / form ↗
🔵 REACH registration (>1 t/year EU import) conditional

How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list.

Legal basis: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Source / form ↗
❓ SVHC notification (Substances of Very High Concern) to be verified

How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry.

Legal basis: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Source / form ↗
❓ REACH Annex XIV (authorisation list) to be verified

How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV.

Legal basis: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Source / form ↗
⚪ REACH Annex XVII (use/marketing restrictions) not applicable

How to comply: Zweryfikowano wobec klasyfikacji zharmonizowanej (CLP Załącznik VI): substancja NIE ma klasyfikacji CMR kat. 1A/1B, więc NIE podlega ogólnemu zakazowi sprzedaży ogółowi społeczeństwa z poz. 28–30 Załącznika XVII. UWAGA: szczegółowe (nie-CMR) pozycje Załącznika XVII nie są objęte zbiorem MOL-GOD (zbiór niepełny) — przy wątpliwości sprawdź skonsolidowany Załącznik XVII na stronach ECHA.

Legal basis: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Source / form ↗

📚 Scientific references (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 ↗] — Classification, labelling and packaging of substances + mixtures (GHS implementation in the EU)
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 — registration, evaluation and authorisation of chemicals; SVHC; SDS Annex 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 and NDSCh for ~600 chemical substances — current Polish occupational exposure limits
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 ↗] — International agreement on the road transport of dangerous goods — UN numbers, classes, packaging

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 1222-05-5 · 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, Regulations
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

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Measurement results:

Separator: comma, space, tab, new line. Minimum 3 measurements.

📐 Statistical formulas

x̄ = Σxᵢ / n — arithmetic mean
s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
s = √s² — standard deviation
RSD% = (s / x̄) × 100% — relative standard deviation
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs' test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Buffer Recipe Calculator UNIQUE

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)

Pharmacological Status

Prekliniczny

Phase I

Phase II

Phase III

Approved

Preclinical — no human study data.

ChEMBL CHEMBL1883305 ↗

Extended Bibliography (3)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. link [accessed: 2026-09-23] CC0 (metadata)

📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility MolGod_SOLUB_1

Molecule

Galaxolide

Formula

C18H26O

logP (XLogP3)

4.80

Mass (g/mol)

258.4

Polarity

Hydrophobic (non-polar)

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

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..

Solvent	Compat.	Ra	Visual	GC-MS	HPLC	Applications	References
Water (H₂O)	0.002 g/L (pomiar)	—		✗ 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 ↗

Sources: PubChem (NIH) · Hansen Solubility Database

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

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

Solubility theory (applied in compatibility prediction):

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 — HSP triplet (dD, dP, dH) + Ra formula.
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 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
PubChem Compound Database — CAS 1222-05-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility MolGod_RXNCOMP_1

Health: 0/4

Flammability: 0/4

Reactivity: 0/4

Per NFPA 704 / calculated from H-codes

Check whether Galaxolide is compatible with another reagent

📦 Storage compatibility matrix

	Acids	Bases	Oxidizers	Flammable	Toxic	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Bases	✗	✓	⚠	⚠	⚠	⚠
Oxidizers	✗	⚠	✓	✗	⚠	✗
Flammable	✗	⚠	✗	✓	⚠	✗
Toxic	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8) MolGod_LABCALC_1

ppm → mg/L

Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases 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 ↗

📋 Laboratory protocol generator MolGod_PROTOCOL_1

Target concentration

Volume (mL)

Initials

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1

Concentration

Preparation Date

Initials

Deskryptory Lipinskiego (struktura)

Drug-likeness radar chart (Lipinski Ro5 / Veber). Green zone = compliance with criteria.

Predictive data — properties calculated in silico (SMILES/RDKit). These do not replace clinical studies. Do not use for drug evaluation without experimental verification.

✓ Lipinski Ro5✓ Veber✓ Egan✓ Ghose✓ REOS✗ Lead-like Ro3 (LogP=4.8)

Property	Value	Rating
Absorption (GI)	high	✓
BBB permeability	no
Bioavailability (Daina 2017)	55%
CYP450 profile	CYP1A2 non-inhibitorCYP2C9 inhibitorCYP2C19 inhibitorCYP2D6 non-inhibitorCYP3A4 inhibitor
PAINS alerts	0	✓
Brenk alerts	0	✓
pKa (pH 7.4)	7 (heuristic)
hERG (cardiotox.)	✓ no
P-gp substrate	—
Ames mutagenicity	✓ no
DILI (hepatotox.)	—
LogS (aq. solub.)	—

Sources (ADMET methodology)

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.
Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329
Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139
Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477
Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093
Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667
Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960
Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005
Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075
Yun Li, Jianv Liu, Xiaoting Feng, et al. 2025. "Reveal resistance mechanisms of Mirabilis jalapa L. when exposed to galaxolide and polystyrene microplastics stress, from individual, cellular and molecular level." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2025.109803. PMID: 40199163. [DOI ↗]
Aneta Sokół, Joanna Karpińska. 2025. "Enhanced Phytoremediation of Galaxolide Using Lemna minor: Mechanisms, Efficiency, and Environmental Implications." International Journal of Molecular Sciences. DOI: 10.3390/ijms26146636. PMID: 40724886. [DOI ↗]
Ding T, Wei L, Yue Z et al. 2023. "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp." The Science of the total environment. DOI: 10.1016/j.scitotenv.2023.164139. [DOI ↗]
Zhang Q, Wang J, Lyu H et al. 2019. "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms." The Science of the total environment. DOI: 10.1016/j.scitotenv.2019.01.005. [DOI ↗]
Belén Salvatierra, A. Pérez-Parada, J. Gómez, et al. 2025. "Incidence Study of Two UV Filters (Octocrylene and Octinoxate) and the Synthetic Fragrance Galaxolide in Commercial Yellow Clam (Amarilladesma mactroides)." Brazilian Journal of Analytical Chemistry. DOI: 10.30744/brjac.2179-3425.ar-55-2025. [DOI ↗]
Wael Obaid, M. Madany, Moayad S. Waznah, et al. 2024. "Modulation of plant carbon and nitrogen metabolism by novel actinobacteria Rhodospirillum sp. to combat galaxolide toxicity in barley and maize plants." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2024.109403. PMID: 39884151. [DOI ↗]
Ming-Zhu Wang, Yu-Fang Xiao, Yun Li, et al. 2023. "Optimistic effects of galaxolide and polystyrene microplastic stress on the physio-biochemical characteristics and metabolic profiles of an ornamental plant." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2023.01.062. PMID: 36739842. [DOI ↗]
B. Otludil, B. Otludil. 2025. "Single and Combined Impact of Environmental Concentrations of Galaxolide (HHCB) and Tonalide (AHTN) on Melanopsis praemorsa: Evaluating Genotoxicity and Stress Response Mechanisms." Journal of Applied Toxicology. DOI: 10.1002/jat.4918. PMID: 40903009. [DOI ↗]
Trabalón L, Alves RN, Castro Ó et al. 2018. "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. DOI: 10.1016/j.fct.2018.09.075. [DOI ↗]
Li, Kunting; Chen, Chuanyang; Wang, Dali; et al. 2026. "Comparative toxicity and molecular recognition of galaxolide and its phototransformation product galaxolide lactone in <i>Daphnia magna</i>." Environmental Science: Processes & Impacts. DOI: 10.1039/d6em00059b. [DOI ↗]
Li, Mingzhao; Wang, Ren; Wang, Pan. 2023. "Galaxolide and Irgacure 369 are novel environmental androgens." Chemosphere. DOI: 10.1016/j.chemosphere.2023.138329. [DOI ↗]
Dörrich, Steffen; Bauer, Jennifer B.; Lorenzen, Sabine; et al. 2013. "Disila‐Galaxolide and Derivatives: Synthesis and Olfactory Characterization of Silicon‐Containing Derivatives of the Musk Odorant Galaxolide." Chemistry – A European Journal. DOI: 10.1002/chem.201300982. [DOI ↗]
"Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere." DOI: 10.1021/acs.jpca.8b07456.s001. [DOI ↗]
"Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin." DOI: 10.1021/acsestwater.4c00498.s001. [DOI ↗]
"Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm." DOI: 10.1021/acs.est.8b02637.s001. [DOI ↗]
Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. [DOI ↗]
Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. [DOI ↗]
Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. [DOI ↗]
Hatice Turan, Mathieu Sebilo, G. Imfeld, et al. 2025. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin." ACS ES&T Water. DOI: 10.1021/acsestwater.4c00498. [DOI ↗]
Li M, Wang R, Wang P. 2023. "Galaxolide and Irgacure 369 are novel environmental androgens." Chemosphere. DOI: 10.1016/j.chemosphere.2023.138329. [DOI ↗]
Li M, Wang P. 2023. "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system." Reproductive toxicology (Elmsford, N.Y.). DOI: 10.1016/j.reprotox.2023.108477. [DOI ↗]
Li W, Wang L, Wang X et al. 2022. "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment." Ecotoxicology and environmental safety. DOI: 10.1016/j.ecoenv.2021.113093. [DOI ↗]
Ding T, Wei L, Hou Z et al. 2022. "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid." Chemosphere. DOI: 10.1016/j.chemosphere.2022.135667. [DOI ↗]
Yanrong Su, Fa-Xu Li, Xiangxiang Xiao, et al. 2023. "Ecological risk of galaxolide and its transformation product galaxolidone: evidence from the literature and a case study in Guangzhou waterways." Environmental science. Processes & impacts. DOI: 10.1039/d3em00139c. PMID: 37387310. [DOI ↗]
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Minghao Gao, Jianv Liu, Xiaoting Feng, et al. 2025. "Calendula officinalis L. Tolerance Response to Polystyrene Microplastics and Galaxolide by Seed Germination, as an Ornamental Plant." Journal of Plant Growth Regulation. DOI: 10.1007/s00344-025-11882-6. [DOI ↗]
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Ehiguese FO, Rodgers ML, Araújo CVM et al. 2021. "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups." Environmental research. DOI: 10.1016/j.envres.2021.110960. [DOI ↗]
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🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:

Preset recipes:

📚 Scientific literature overview — CAS 1222-05-5MolGod_LITHUB_MAIN

⭐ Key findings (scientific literature) 8 publications

🏆 CAS 1222-05-5 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.

#1

Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.

Li W, Wang L, Wang X et al. (2022) · Ecotoxicology and environmental safety

Why it matters: Open access

SCORE 5.85 Mechanism Open Access DOI ↗ PubMed ↗
#2

Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.

Ehiguese FO, Rodgers ML, Araújo CVM et al. (2021) · Environmental research

Why it matters: Open access

SCORE 5.55 Mechanism Open Access DOI ↗ PubMed ↗
#3

Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.

Ding T, Wei L, Yue Z et al. (2023) · The Science of the total environment

Why it matters: Recent (2023)

SCORE 3.9 Pharmacology DOI ↗ PubMed ↗
#4

Galaxolide and Irgacure 369 are novel environmental androgens.

Li M, Wang R, Wang P (2023) · Chemosphere

Why it matters: Recent (2023)

SCORE 3.9 Mechanism DOI ↗ PubMed ↗
#5

Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.

Li M, Wang P (2023) · Reproductive toxicology (Elmsford, N.Y.)

Why it matters: Recent (2023)

SCORE 3.9 Mechanism DOI ↗ PubMed ↗
#6

Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.

Ding T, Wei L, Hou Z et al. (2022) · Chemosphere

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 3.6 Mechanism DOI ↗ PubMed ↗
#7

Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.

Zhang Q, Wang J, Lyu H et al. (2019) · The Science of the total environment

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 3.5 Mechanism DOI ↗ PubMed ↗
#8

Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.

Trabalón L, Alves RN, Castro Ó et al. (2018) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 2.4 Mechanism DOI ↗ PubMed ↗

Tag	TF	DF	IDF	Score
tonalide	2	2	2.099	4.197
assessment	2	2	2.099	4.197
euglena	2	2	2.099	4.197
triclosan	2	2	2.099	4.197
irgacure	2	2	2.099	4.197
environmental	2	2	2.099	4.197

🔬 HPLC — methods & parameters — CAS 1222-05-5MolGod_HPLCHUB_MAIN

📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

Column: C18
Buffer: phosphate
Flow: 1 mL/min
logP: 4.8 (PubChem XLogP3)
Ramp: 43% → 95% B, 25 min
Total analysis time: 38 min

t (min)	%A	%B	flow (mL/min)	Comment
0	57	43	1	start (equilibrium)
2	57	43	1	end of initial hold
27	5	95	1	end of LSS ramp
32	5	95	1	column wash
33	57	43	1	return to init
38	57	43	1	re-equilibration

📚 Scientific references (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/1222-05-5

📐 Column dimensions — van Deemter calculator 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
Theoretical plates (N)	12,466
N at u_opt	12,500
HETP (current)	12.032 µm
Min. HETP	12 µm
Linear velocity (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Back pressure (ΔP)	42.1 bar
Analysis time (dead volume)	2.49 min

📚 Scientific references (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/1222-05-5

🧪 Mobile phase — compatibility matrix MISCIBLE

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

Detector: UV — compatible with both solvents.

📚 Scientific references (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=...

Complete HPLC Method Guide Peer-Reviewed

Molecule-specific scenarios, troubleshooting, and literature references

Molecular Predictor

The predicted parameters for this molecule (CAS 1222-05-5) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

13.2 min

Range: 9.24 – 17.16

confidence: medium

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

= 1.935 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

10 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. Mobile Phase Selection Solvents, grades, shopping list

Real Chemist Problem

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?

How We Solve This

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

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

Consumption Calculator

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Runtime (min):

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

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TOTAL COST:	0 PLN

Deep Education

Understanding Mobile Phase Chemistry

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.

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

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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: —

Frequently Asked Questions

Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (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=258.4, CAS 1222-05-5) 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. Gradient Optimization Timeline, slope, retention control

Gradient Problem From The Lab

SPE dla matrix effect w plasma

Drug quantification in human plasma. Matrix suppresses 40%. Which SPE type (MCX / HLB / C18)?

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.

Frequently Asked Questions

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

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

Jakie Rt przewidywane dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (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

3. Column Selection C18, particle size, dimensions

Column Choice Dilemma

48 godzin stracone na niewidoczne piki

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.

Lesson learned (Anna K., studentka 2. rok, PW, 2024-11-15):
ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

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

Frequently Asked Questions

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=258.4 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=258.4 (CAS 1222-05-5) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

4. Detection Settings UV wavelength, bandwidth, response

Detection Gotcha

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?

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. Method Validation SST, precision, accuracy, robustness

Validation Reality Check

OOS investigation — 1 batch fail per spec

Assay 97.5% (spec 98-102%). OOS opened. Within 24h you must determine: root cause (sample / method / system). How?

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

Frequently Asked Questions

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

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 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (CAS 1222-05-5) 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

6. Sample Preparation Dilution, filtration, storage

Prep Mistakes That Ruined The Run

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

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. Downloads & Resources 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

Forensic Fix — real failure stories Lessons learned

Real chemists' mishaps — what happened, what helped, what to avoid.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5

What happened:

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.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5

What happened:

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.

Ask about this method

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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 1222-05-5). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

2-Ethylhexanoic Acid

Ta sama kategoria · Ta sama kategoria produktu

Ethylene glycol diacetate

Ta sama kategoria · Ta sama kategoria produktu

Propyl Acetate

Ta sama kategoria · Ta sama kategoria produktu

Ethyl acetate

Ta sama kategoria · Ta sama kategoria produktu

Propylene glycol monomethyl ether acetate (PMA)

Ta sama kategoria · Ta sama kategoria produktu

📄 Certificates of Analysis (CoA) CAS 1222-05-5 none MolGod_COA_2

No certificates for this product in the database.

📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (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

Bulk orders? Contact us.

📜 Patents (public metadata) no data MolGod_PATENT_2

No public patent metadata was found for this substance in Crossref / OpenAlex at this time. Data will be updated automatically after the next cache refresh (24h).

📚 References (Chicago Author-Date) — click to expand

Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001.
Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001.
Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001.
Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329
Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139
Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477
Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093
Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667
Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960
Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005
Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075
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/1222-05-5?status=active&limit=10

Extended Bibliography (3)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. link [accessed: 2026-09-23] CC0 (metadata)

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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 121 items

All scientific sources cited in the accordions above for CAS 1222-05-5. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

NIST. n.d. NIST Chemistry WebBook: CAS 1222-05-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=1222-05-5.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 1222-05-5. 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.
PubChem. n.d. PubChem Compound Summary: CAS 1222-05-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=1222-05-5.

📐 Standards / Guidelines

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.

📖 Books

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.

📄 Scientific articles (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.

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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.
ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
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Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
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LC₅₀ (fish):	`0.491 mg/L (Misgurnus anguillicaudatus, 96 h)`
EC₅₀ (Daphnia):	`2.68 mg/L (Daphnia magna, 48 h)`
EC₅₀ (algae):	`0.41 mg/L (Raphidocelis subcapitata, 72 h)`
ED — organizmy wodne (sek. 12.7):	`Thyroxine (Danio rerio) [https://doi.org/10.1016/j.chemosphere.2023.138273] — source: US EPA ECOTOX (evidence of effect, not a regulatory ED classification).`

Musk Pure

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🧮 Solubility calculator

Solubility vs temperature

🌐 Hansen Solubility Sphere (3D)

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Dilution (C₁V₁=C₂V₂)

Molarity (M=n/V)

pH Buffer (Henderson-Hasselbalch)

Beer-Lambert (A=εcl)

Mass → Moles

Concentration % → M

ppm → mg/L

Temperature C↔F↔K

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First column connection — no leak

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Why Acetonitrile vs Methanol?

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Buffer Selection: Why NH₄HCO₃?

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1. Solwenty — ACN vs MeOH

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⚠ Gradient Problem From The Lab

SPE dla matrix effect w plasma

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Complete HPLC Method Guide Peer-Reviewed

Molecular Predictor

Real Chemist Problem

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Gradient Problem From The Lab

Our Gradient Strategy

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Column Choice Dilemma

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Column Lifetime Rules

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USP <621> + ICH Q2(R1) Criteria

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Prep Mistakes That Ruined The Run

Sample Prep Protocol

Why Filter 0.22 μm?

Forensic Fix — real failure stories Lessons learned

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