Basic information
- CAS
72276-09-6- Standard SMILES
C=CCC=CCCC(=O)OCC- InChIKey
LNOWXPKCCJROHI-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Ethyl octa-4,7-dienoate
- IUPAC
- ethyl octa-4,7-dienoate
- English name
- ethyl 4,7-octadienoate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
Ethyl octa-4,7-dienoateRefChem:596346SCHEMBL11123104NS00037356ethyl 4,7-octadienoateethyl (4E)-octa-4,7-dienoatetropical dienoate (Bedoukian)4,7-Octadienoic acid, ethyl ester
Database identifiers
- CAS
72276-09-6- PubChem CID
- 166278
- DTXSID
DTXSID0072560
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 159
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 204.8 · 204.8±19.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet ethereal juicy pineapple pear mango passion fruit
- Odor Type
- fruity
- EPA Substance Registry System
- 4 · 4,7-Octadienoic acid, ethyl ester (72276-09-6)
- 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
- tsca
- TSCA listed
Chemistry & industry
Suppliers4 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
吉良化学21-62165282 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Additional notes
DefinitionChEBI: Ethyl (4Z)-4,7-octadienoate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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