Methyl (E)oct-3-enoate
Basic information
- CAS
35234-16-3- Standard SMILES
CCCC/C=C/CC(=O)OC- InChIKey
HAGXFSMJELVHFJ-VOTSOKGWSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
Methyl 3-Octenoate is a fatty acid methyl ester.
Names & identifiers
- Preferred name
- Methyl (E)oct-3-enoate
- IUPAC
- methyl (E)-oct-3-enoate
- English name
- Methyl-3-octenoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Methyl 3-octenoateMethyl (E)oct-3-enoateMethyl (3E)-3-octenoateEINECS 252-450-4DTXSID301313441RefChem:812410DTXCID001743265252-450-435234-16-3methyl (E)-oct-3-enoateMETHYL-3-OCTENOATE(E)-Methyl oct-3-enoate
Show more names
(E)-3-Octenoic acid methyl ester
METHYL (3E)-OCT-3-ENOATEMethyl (E)-3-octenoate3-Octenoic acid, methyl ester, (E)-trans-3-Octenoic Acid, methyl ester3-Octenoic acid, methyl esterMethyl trans-3-octenoateSCHEMBL16289055CHEBI:171757
Database identifiers
- CAS
35234-16-3- PubChem CID
- 5364697
- DTXSID
DTXSID301313441- ChEBI
CHEBI:171757- EC Number
- 252-450-4
- Nikkaji
- J146.078A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 191.5 · 191.5±9.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- LogP
- 2.876 · 2.876 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Methyl 3-Octenoate is a fatty acid methyl ester.
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Compound notes
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