Dodecyl octanoate
Basic information
- CAS
20292-09-5- Standard SMILES
CCCCCCCCCCCCOC(=O)CCCCCCC- InChIKey
OYQTUTLMOLEYNR-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Overview
Dodecyl octanoate is a carboxylic ester.
Names & identifiers
- Preferred name
- Dodecyl octanoate
- IUPAC
- dodecyl octanoate
- English name
- dodecyl octanoate
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
Dodecyl octanoateOctanoic acid, dodecyl esterlauryl caprylatelauryl octanoateUNII-2U627TBL662U627TBL66DODECYL CAPRYLATEEINECS 243-698-4DTXSID9066592WE(12:0/8:0)RefChem:135503DTXCID1036252
Show more names
243-698-4OYQTUTLMOLEYNR-UHFFFAOYSA-N20292-09-5MFCD32661400dodecyloctanoateOctanoic acid dodecyl esterDodecyl octanoate #SCHEMBL1173086
Database identifiers
- CAS
20292-09-5- PubChem CID
- 88472
- DTXSID
DTXSID9066592- ChEBI
CHEBI:179718- UNII
- 2U627TBL66
- EC Number
- 243-698-4
- Nikkaji
- J280.551K
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 26.3 Ų
- 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] -> Wax monoesters [FA0701]
Physicochemical properties
- Boiling point
- 362.4 · 362.4±10.0 °C(Predicted)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
- LogP
- 8.937 · 8.937 (est)
- FDA UNII
- 2 U627TBL66 · 2U627TBL66
- EPA Substance Registry System
- Octanoic acid, dodecyl ester (20292-09-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanoic acid, dodecyl ester: ACTIVE
Additional notes
DefinitionChEBI: Dodecyl octanoate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…