Tetradecyl butyrate
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Basic information
- CAS
6221-98-3- Standard SMILES
CCCCCCCCCCCCCCOC(=O)CCC- InChIKey
KIRBCTVJSVTCCQ-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
Tetradecyl butyrate is a carboxylic ester.
Names & identifiers
- Preferred name
- Tetradecyl butyrate
- IUPAC
- tetradecyl butanoate
- English name
- Tetradecyl butyrate
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Tetradecyl butyrate6221-98-3tetradecyl butanoateButanoic acid, tetradecyl esterButyric acid, tetradecyl esterWE(14:0/4:0)TetradecylbutyrateTetradecyl butyrate #n-Tetradecyl butanoate1-Tetradecanol, butanoateSCHEMBL8896227SCHEMBL8896231
Show more names
nbutyric acidecatetraester
SCHEMBL9511621DTXSID30387477CHEBI:196219KIRBCTVJSVTCCQ-UHFFFAOYSA-NLMFA07010426MFCD30470133AKOS028108671AS-57111
Database identifiers
- CAS
6221-98-3- PubChem CID
- 522032
- DTXSID
DTXSID30387477- ChEBI
CHEBI:196219
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- 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] -> Short fatty esters [FA0710]
Physicochemical properties
- Melting point
- -26 °C · -26°C (estimate)
- Boiling point
- 326.96 °C · 326.96°C (estimate)
- Density
- 0.8672 · 0.8672 (estimate)
- refractive index
- 1.4227 · 1.4227 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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