2-Octenoic acid ethyl ester
Basic information
- CAS
2351-90-8- Standard SMILES
CCCCCC=CC(=O)OCC- InChIKey
AISZSTYLOVXFII-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2-Octenoic acid ethyl ester
- IUPAC
- ethyl oct-2-enoate
- English name
- Ethyl trans-2-octenoate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Ethyl (E)-2-octenoateOctenoic acid, ethyl esterethyl octenoate2-octenoic acid ethyl esterSCHEMBL872986AISZSTYLOVXFII-UHFFFAOYSA-NAKOS030228112DB-046178NS00083028Q271595272-Octenoic acid, ethyl esterFEMA 3643
Show more names
Ai3-36708Einecs 219-087-3ETHYL 2-OCTENOATEETHYL T2 OCTENOATEethyl oct-2-enoateRARECHEM AL BI 0153Ethyl (2E)-2-octenoateEthyl trans-2-octenoate
Database identifiers
- CAS
2351-90-8- PubChem CID
- 23832
- DTXSID
DTXSID5062344
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
Physicochemical properties
- Boiling point
- 222 °C · 222 °C(lit.)
- Density
- 0.883 g/mL · 0.883 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4410(lit.)
- FEMA
- 3643 · 3643 | ETHYL TRANS-2-OCTENOATE
- Flash point
- 209 °F · 209 °F
- Odor
- 100 % · at 100.00 %. fruity green pineapple pear skin waxy tropical juicy hairy
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.844 · 3.844 (est)
- EPA Substance Registry System
- 2 · 2-Octenoic acid, ethyl ester (2351-90-8)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
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
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Additional notes
DefinitionChEBI: The fatty acid ethyl ester of 2-octenoic acid.
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Related reactions
3 records
Compound notes
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