Basic information
- CAS
1552-67-6- Standard SMILES
CCCC=CC(=O)OCC- InChIKey
SJRXWMQZUAOMRJ-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
ethyl 2-hexenoate has been reported in Annona muricata with data available.
Names & identifiers
- Preferred name
- Ethyl hex-2-enoate
- IUPAC
- ethyl hex-2-enoate
- English name
- ethyl hex-2-enoate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Ethyl hex-2-enoateDTXSID80862688RefChem:1085046DTXCID20811418216-296-11552-67-6hex-2-enoic acid ethyl esterHexenoic acid, ethyl ester2-hexenoic acid ethyl esterSCHEMBL7755137SCHEMBL29430520SJRXWMQZUAOMRJ-UHFFFAOYSA-N
Show more names
ETHYLHEXENOATE
DB-254725NS00048958Q27159687
Database identifiers
- CAS
1552-67-6- PubChem CID
- 519129
- DTXSID
DTXSID80862688- EC Number
- 216-296-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.905 (20º)
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point167-174º
Refractive Index1.430-1.440
Physical DescriptionClear colourless liquid; fruity aroma
Physicochemical properties
- Melting point
- -65.52 °C · -65.52°C (estimate)
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 2-Hexenoic acid, ethyl ester
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Downstream products
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: A fatty acid ethyl ester of 2-hexenoic acid.
Related reactions
2 records
Compound notes
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