Isoamyl myristate
Basic information
- CAS
62488-24-8- Standard SMILES
CCCCCCCCCCCCCC(=O)OCCC(C)C- InChIKey
AISCBZKHUSXEOC-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
3-Methyl-3-butenyl tetradecanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Isoamyl myristate
- IUPAC
- 3-methylbutyl tetradecanoate
- English name
- isopentyl myristate
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
3-Methylbutyl tetradecanoate62488-24-8isoamyl myristateIsopentyl myristateisopentyl tetradecanoateTetradecanoic acid, 3-methylbutyl esterMyristic acid isoamyl ester649AB66AUKEINECS 263-570-1NSC-44528AI3-32099DTXSID70211525
Show more names
ISOPENTYLTETRADECANOATE
NSC 44528RefChem:791554DTXCID00134016263-570-13-Methyl-3-butenyl tetradecanoateWE(4:1(3)(3Me)/14:0)UNII-649AB66AUKCHEMBL207091
Database identifiers
- CAS
62488-24-8- PubChem CID
- 95950
- DTXSID
DTXSID70211525- ChEMBL
CHEMBL207091- ChEBI
CHEBI:179621- UNII
- 649AB66AUK
- EC Number
- 263-570-1
- Nikkaji
- J307.058A
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 281 · 281-283 °C
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.602 · 09.602 | Isopentyl tetradecanoate
- Odor
- fragrant
- LogP
- 8.272 · 8.272 (est)
- FDA UNII
- 649 AB66AUK · 649AB66AUK
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Tetradecanoic acid, 3-methylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Additional notes
DefinitionChEBI: 3-Methyl-3-butenyl tetradecanoate is a fatty acid ester.
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Compound notes
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