Basic information
- CAS
57491-34-6- Standard SMILES
CCCC/C=C/CCCCCCCC/C=C/CCOC(C)=O- InChIKey
VVJPJXKHBZNADP-QQIRETTESA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Overview
3E,13E-Octadecadienyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- 3,13-Octadecadien-1-ol, 1-acetate, (3E,13E)-
- IUPAC
- [(3E,13E)-octadeca-3,13-dienyl] acetate
- English name
- (3E,13E)-1-Acetoxy-3,13-octadecadiene
- Molecular formula
- C20H36O2
- Molecular weight
- 308.5
Names & synonyms
57491-34-63,13-Octadecadien-1-ol, 1-acetate, (3E,13E)-3,13-Octadecadien-1-ol, acetate, (3E,13E)-RefChem:484816(3E,13E)-OCTADECA-3,13-DIEN-1-YL ACETATE3E,13E-Octadecadienyl acetateoctadeca-3,13-dien-1-yl acetate61654-54-43,13-octadecadienyl acetate[(3E,13E)-octadeca-3,13-dienyl] acetate(3E,13E)-1-Acetoxy-3,13-octadecadieneSCHEMBL592295
Show more names
(E,E)-3,13-Octadecadienyl acetate(3E,13E)-3,13-Octadecadien-1-ol acetate
DTXSID10860652e,z-3,13-octadecadienyl acetateCHEBI:180345LMFA07010384DB-247013(E)-3-(E)-13-Octadecadien-1-ol acetate(3E,13E)-3,13-Octadecadien-1-yl acetateSFE 18:2(3E,13E)/2:0
Database identifiers
- CAS
57491-34-6- PubChem CID
- 6436680
- DTXSID
DTXSID10860652- ChEBI
CHEBI:180345
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,13-Octadecadien-1-ol, acetate, (3E,13E)- (57491-34-6)
- 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
Uses & manufacturing
General Manufacturing Information3,13-Octadecadien-1-ol, 1-acetate, (3E,13E)-: INACTIVE
Suppliers3 total
Chongqing jooe co., ltd+86-15223382610 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
Additional notes
DefinitionChEBI: 3E,13E-Octadecadienyl acetate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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