Ethyl (E)-oct-3-enoate
Basic information
- CAS
1117-65-3- Standard SMILES
CCCC/C=C/CC(=O)OCC- InChIKey
BCMYNNIPTQUKAC-BQYQJAHWSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
Ethyl 3E-octenoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl (E)-oct-3-enoate
- IUPAC
- ethyl (E)-oct-3-enoate
- English name
- Ethyl-3-octenoate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Ethyl (E)-oct-3-enoate26553-47-93-Octenoic acid, ethyl ester, (3E)-ethyl (E)-3-octenoateethyl 3E-octenoateEthyl trans-3-octenoateEthyl 3-octenoate, (3E)-T9W2AVW6NUEthyl (3E)-3-octenoate3-Octenoic acid, ethyl ester, (E)-WE(2:0/8:1(3E))UNII-T9W2AVW6NU
Show more names
Ethyl-3-octenoate(E)-3-Octenoic acid ethyl ester
ETHYL (3E)-OCT-3-ENOATEEINECS 247-799-4Ethyl 3-octenoate #(3E)-ethyl 3-octenoateSCHEMBL1771472CHEBI:180222DTXSID101314736(E)-oct-3-enoic acid ethyl ester
Database identifiers
- CAS
1117-65-3、26553-47-9- PubChem CID
- 5364397
- DTXSID
DTXSID101314736- ChEBI
CHEBI:180222- UNII
- T9W2AVW6NU
- EC Number
- 247-799-4
- Nikkaji
- J102.310A、J248.969D
Properties
Computed structural properties
- XLogP
- 3
- 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]
Physicochemical properties
- Odor
- 100 % · at 100.00 %. fruity fatty winey
- Odor Type
- fruity
- JECFA Number
- 1632 · 1632
- LogP
- 3.97 · 3.97
- FDA UNII
- 9 W2AVW6NU · T9W2AVW6NU
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 3-Octenoic acid, ethyl ester, (E)-
3-Octenoic acid, ethyl ester, (3E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Ethyl 3E-octenoate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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