Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCC- InChIKey
MOQRZWSWPNIGMP-UHFFFAOYSA-N- Molecular formula
- C23H46O2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.34978071
Names & identifiers
- Preferred name
- Octadecanoic acid, pentyl ester
- IUPAC
- pentyl octadecanoate
- English name
- pentyl stearate
- Molecular formula
- C23H46O2
- Molecular weight
- 354.61
Names & synonyms
Pentyl stearateOctadecanoic acid, pentyl esterAmyl stearateEINECS 228-978-6AI3-00430DTXSID3064300RefChem:167673DTXCID7044138228-978-6MOQRZWSWPNIGMP-UHFFFAOYSA-Npentyl octadecanoate6382-13-4
Show more names
STEARICACID,PENTYLESTERStearic acid amyl esterOctadecanoic acid pentyl ester
AmylstearatSCHEMBL239050NS00044542
Database identifiers
- CAS
6382-13-4- PubChem CID
- 80799
- DTXSID
DTXSID3064300- EC Number
- 228-978-6
- Nikkaji
- J95.713E
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Stearates
Physical DescriptionMelting point = 30 deg C; [ChemIDplus]
Physicochemical properties
- Melting point
- 30 °C · 30°C
- Boiling point
- 387.8 °C · 387.8°C (rough estimate)
- Density
- 0.8784 · 0.8784 (rough estimate)
- refractive index
- 1.4342 · 1.4342
- LogP
- 10.466 · 10.466 (est)
- EPA Substance Registry System
- Amyl stearate (6382-13-4)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, pentyl ester: INACTIVE
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉良化学21-62165282 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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