7-Dodecen-1-ol, 1-acetate, (7E)-
Basic information
- CAS
16695-41-3- Standard SMILES
CCCC/C=C/CCCCCCOC(C)=O- InChIKey
MUZGQHWTRUVFLG-VOTSOKGWSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Overview
7E-Dodecenyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- 7-Dodecen-1-ol, 1-acetate, (7E)-
- IUPAC
- [(E)-dodec-7-enyl] acetate
- English name
- trans-7-dodecenylacetate
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
7-Dodecen-1-ol, 1-acetate, (7E)-(E)-7-Dodecen-1-ol acetate7-Dodecen-1-ol, acetate, (E)-AI3-33267RefChem:5463227-Dodecen-1-ol, acetate, (7E)-16695-41-37E-Dodecenyl acetate[(E)-dodec-7-enyl] acetateE-7-Dodecen-1-ol acetatetrans-7-dodecenylacetate(E)-7-Dodecenyl acetate
Show more names
7E-12Ac(E)-7-dodecen-1-yl acetate
(7E)-dodec-7-en-1-yl acetateENT 33266(7E)-7-Dodecenyl acetateSCHEMBL833218E7-12Ac(7E)-7-Dodecenyl acetate #(E)-dodec-7-en-1-yl acetateDTXSID10894977
Database identifiers
- CAS
16695-41-3- PubChem CID
- 5352789
- DTXSID
DTXSID10894977- ChEBI
CHEBI:179342- Nikkaji
- J318.291F、J421.978C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 300.1 · 300.1±21.0℃ (760 Torr)
- Density
- 0.881 · 0.881±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 96.5 · 96.5±20.4℃
- EPA Substance Registry System
- 7 · 7-Dodecen-1-ol, acetate, (7E)- (16695-41-3)
- 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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Dodecen-1-ol, 1-acetate, (7E)-: ACTIVE
Additional notes
DefinitionChEBI: 7E-Dodecenyl acetate is a carboxylic ester.
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Related reactions
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Compound notes
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