Octadecyl acetate

HCID 69968

Notes Reactions

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Basic information

CAS: 72269-30-8
Standard SMILES: CCCCCCCCCCCCCCCCCCOC(C)=O
InChIKey: OIZXRZCQJDXPFO-UHFFFAOYSA-N
Molecular formula: C20H40O2
Average molar mass: 312.5 g/mol
Monoisotopic mass: 312.30283051

Overview

Octadecyl acetate is a carboxylic ester.

Names & identifiers

Preferred name: Octadecyl acetate
IUPAC: octadecyl acetate
English name: STEARYL ACETATE
Molecular formula: C20H40O2
Molecular weight: 312.53

Names & synonyms

Octadecyl acetateStearyl acetateAcetic acid, octadecyl esterAcetic acid n-octadecyl esterOctadecanol acetate1-Octadecyl acetateUNII-A8005KSX95A8005KSX95NSC 5546NSC-5546EINECS 212-493-1AEC STEARYL ACETATE

Show more names

OCTADESYL ACETATEn-octadecylacetateTIMTEC-BB SBB007641n-Octadecyl acetateoctadecyl ethanoate

AI3-08310DTXSID4047759Octadecyl acetic acidRefChem:167696STEARYL ACETATE [INCI]DTXCID3027742OIZXRZCQJDXPFO-UHFFFAOYSA-N822-23-1

Database identifiers

CAS: 72269-30-8、822-23-1
PubChem CID: 69968
DTXSID: DTXSID4047759
ChEBI: CHEBI:179720
UNII: A8005KSX95
EC Number: 212-493-1
Nikkaji: J45.697G

Properties

Computed structural properties

XLogP: 8.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 18
Heavy atoms: 22
Formal charge: 0
Complexity: 226

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

Cosmetics · 2 items

Cosmetic ingredients (Stearyl Acetate) -> CIR (Cosmetic Ingredient Review)

Emollient; Skin conditioning

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physicochemical properties

Melting point: 32.84 °C · 32.84°C
Boiling point: 352.43 °C · 352.43°C (estimate)
Density: 0.8739 · 0.8739 (estimate)
refractive index: 1.4527 · 1.4527 (estimate)
Flash point: 30 °C · 30 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
color: White to Off-White
Cosmetics Ingredients Functions: SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
LogP: 8.937 · 8.937 (est)
CAS DataBase Reference: 822 · 822-23-1(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: OCTADECYL ACETATE
FDA 21 CFR: 178.391 · 178.3910
EWG's Food Scores: 1 · 1
FDA UNII: 8005 KSX95 · A8005KSX95
EPA Substance Registry System: Acetic acid, octadecyl ester (822-23-1)
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2915.39 · 2915.39.3500

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationAcetic acid, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

EPA Provisional Peer-Reviewed Toxicity Values · 3 items

Stearyl Acetate

PDF Document

2010

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2915.39.3500

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Stearyl Acetate

Use ClassificationCosmetics -> Emollient; Skin conditioning

General Manufacturing InformationAcetic acid, octadecyl ester: ACTIVE

Applications

UsesStearyl Acetate is a sex pheromone found in the males of the castniid palm borer, paysandisia exhibited in their courtship behavior.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

河北贞田食品添加剂有限公司0319-5925599 13373390591

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: Octadecyl acetate is a carboxylic ester.

Related reactions

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Compound notes

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