Ethyl (E)-2-octenoate
Basic information
- CAS
7367-82-0- Standard SMILES
CCCCC/C=C\C(=O)OCC- InChIKey
AISZSTYLOVXFII-HJWRWDBZSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Ethyl (E)-2-octenoate
- IUPAC
- ethyl (Z)-oct-2-enoate
- English name
- Ethyl trans-2-octenoate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
ETHYL (2Z)-OCT-2-ENOATEEthyl (E)-2-octenoate(E)-Oct-2-enoic acid ethyl estertrans-2-Octenoic acid ethyl esterEthyl-trans-2-octenoatetrans-Ethyl 2-octenoate(E)-Ethyl 2-octenoateEthyl (2E)-2-octenoateEthyl 2-octenoate, (Z)-SCHEMBL27487508Ethyl ester(E)-2-Octenoic acidAISZSTYLOVXFII-HJWRWDBZSA-N
Show more names
FEMA 3643ETHYL 2-OCTENOATEETHYL T2 OCTENOATERARECHEM AL BI 0153ethyl (E)-oct-2-enoateEthyl Trans-2-OCLenoateEthyl trans-2-octenoateEthyltrans-2-Octenoate>ethylester,(e)-2-octenoicaci
FEMA 3344?trans-2-Octenoic acid, ethyl esterLMFA070108482-Bromo-3-hydroxy-7,7-diphenylbicyclo[3.2.0]heptan-6-one
Database identifiers
- CAS
7367-82-0- PubChem CID
- 5352768
- Nikkaji
- J2.179.242J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Boiling Point94.00 °C. @ 30.00 mm Hg
Physicochemical properties
- Boiling point
- 222 °C · 222 °C (lit.)
- Density
- 0.883 g/mL · 0.883 g/mL at 25 °C (lit.)
- FLAVIS Number
- 9.285 · 09.285 | Ethyl oct-2(trans)-enoate
- refractive index
- 20 · n20/D 1.4410(lit.)
- FEMA
- 3643 · 3643 | ETHYL TRANS-2-OCTENOATE
- Flash point
- 209 °F · 209 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. fruity pear skin green waxy tropical plum skin fatty
- Odor Type
- fruity
- biological source
- synthetic
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
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 2916.19.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS05
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
OccurrenceReported found in pear, soursop, apple, starfruit, pear, brandy, cherimoya (Annona cheremolia Mill.), nectarine, Cape gooseberry, pawpaw and grapefruit juice.
Usesflavors and fragrances
Additional notes
DefinitionChEBI: Ethyl 2-octenoate is the fatty acid ethyl ester of 2-octenoic acid. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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