Basic information
- CAS
627-88-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C- InChIKey
WDQOEAOLRIMQDA-UHFFFAOYSA-N- Molecular formula
- C23H46O2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.34978071
Names & identifiers
- Preferred name
- Isoamyl stearate
- IUPAC
- 3-methylbutyl octadecanoate
- English name
- isopentyl stearate
- Molecular formula
- C23H46O2
- Molecular weight
- 354.61
Names & synonyms
Isopentyl stearateisoamyl stearate627-88-33-methylbutyl stearateOctadecanoic acid, 3-methylbutyl ester0OF33FPU9GOXISMOOTH STEINECS 211-015-9DTXSID20211772ISOPENTYL ALCOHOL, STEARATERefChem:791560ISOAMYL STEARATE [INCI]
Show more names
Stearic acid isopentyl esterStearic acid 3-methylbutyl esterOctadecanoic acid isopentyl ester
DTXCID50134263211-015-93-methylbutyl octadecanoate3-Methyl-2-butenyl octadecanoateWE(4:1(2)(3Me)/18:0)UNII-0OF33FPU9GSCHEMBL37144LMFA07010577
Database identifiers
- CAS
627-88-3- PubChem CID
- 69397
- DTXSID
DTXSID20211772- UNII
- 0OF33FPU9G
- EC Number
- 211-015-9
- Nikkaji
- J95.712G
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physicochemical properties
- Melting point
- 25.5 °C · 25.5°C
- Boiling point
- 387.8 °C · 387.8°C (rough estimate)
- Density
- 0.8784 · 0.8784 (rough estimate)
- refractive index
- 1.433 · 1.4330
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- LogP
- 10.62 · 10.620 (est)
- FDA UNII
- 0 OF33FPU9G · 0OF33FPU9G
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
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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