Decyl octanoate
Basic information
- CAS
2306-89-0- Standard SMILES
CCCCCCCCCCOC(=O)CCCCCCC- InChIKey
WVWRBUIUZMBLNI-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
Decyl octanoate is a carboxylic ester.
Names & identifiers
- Preferred name
- Decyl octanoate
- IUPAC
- decyl octanoate
- English name
- decyl octanoate
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Decyl octanoateOctanoic acid, decyl esterCapryl caprylateUNII-5KFF7R63SI5KFF7R63SIEINECS 218-981-0DTXSID8062319WE(10:0/8:0)RefChem:131375DTXCID9036800218-981-0WVWRBUIUZMBLNI-UHFFFAOYSA-N
Show more names
Octanoic acid decyl esterCaprylic acid decyl ester
2306-89-0Decyl octanoate #SCHEMBL344981CHEBI:196218LMFA07010450NS00021883WE 10:0/8:0Q24765784
Database identifiers
- CAS
2306-89-0- PubChem CID
- 75319
- DTXSID
DTXSID8062319- ChEBI
CHEBI:196218- UNII
- 5KFF7R63SI
- EC Number
- 218-981-0
- Nikkaji
- J115.090A
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physicochemical properties
- Melting point
- 4.2 °C · 4.2 °C
- Boiling point
- 130 °C · 130 °C
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- LogP
- 7.918 · 7.918 (est)
- FDA UNII
- 5 KFF7R63SI · 5KFF7R63SI
- EPA Substance Registry System
- Octanoic acid, decyl ester (2306-89-0)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanoic acid, decyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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