Decyl hexanoate
Basic information
- CAS
52363-43-6- Standard SMILES
CCCCCCCCCCOC(=O)CCCCC- InChIKey
QNKHVQVPARQEKZ-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Overview
Decyl hexanoate is a carboxylic ester.
Names & identifiers
- Preferred name
- Decyl hexanoate
- IUPAC
- decyl hexanoate
- English name
- decyl hexanoate
- Molecular formula
- C16H32O2
- Molecular weight
- 256.42
Names & synonyms
Decyl hexanoateDecyl caproateHexanoic acid, decyl ester52363-43-6EINECS 257-873-8DTXSID4068745WE(10:0/6:0)RefChem:585576DTXCID1041180257-873-8hexanoic acid decyl ester1-Decyl hexanoate
Show more names
Caproic acid decyl ester
Decyl hexanoate #G5YK43EE46SCHEMBL7771323SCHEMBL9049458CHEBI:179736LMFA07010440NS00032490WE 10:0/6:0
Database identifiers
- CAS
52363-43-6- PubChem CID
- 104170
- DTXSID
DTXSID4068745- ChEBI
CHEBI:179736- UNII
- G5YK43EE46
- EC Number
- 257-873-8
- Nikkaji
- J115.078B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 183 · 183-184 °C(Press: 21-22 Torr)
- Density
- 0.861 g/cm3 · 0.8610 g/cm3(Temp: 40.4 °C)
- LogP
- 6.899 · 6.899 (est)
- EPA Substance Registry System
- Decyl hexanoate (52363-43-6)
- 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 InformationHexanoic acid, decyl ester: INACTIVE
Additional notes
DefinitionChEBI: Decyl hexanoate is a carboxylic ester.
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Compound notes
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