(E)-9-Hexadecenyl acetate
Basic information
- CAS
56218-69-0- Standard SMILES
CCCCCC/C=C/CCCCCCCCOC(C)=O- InChIKey
VAKBQCYSUVICLV-CMDGGOBGSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
9E-hexadecenyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- (E)-9-Hexadecenyl acetate
- IUPAC
- [(E)-hexadec-9-enyl] acetate
- English name
- 9E-Hexadecenyl Acetate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
(E)-9-Hexadecenyl acetate56218-69-0[(E)-hexadec-9-enyl] acetate9E-Hexadecenyl acetate9-Hexadecen-1-ol, acetate, (9E)-CIS-9-HEXADECENYL ACETATE9-hexadecenyl acetatetrans-9-Hexadecen-1-yl acetate9-Hexadecen-1-ol,1-acetate, (9Z)-9-Hexadecen-1-ol, acetate, (E)-(E)-1-Acetoxy-9-hexadeceneorb2563930
Show more names
9 PALMITELAIDYL ACETATE(E)-9-Hexadecenylacetat9(E)-Palmitelaidyl acetate(9E)-hexadec-9-en-1-yl acetateacetic acid hexadec-9-enyl ester9-Hexadecen-1-ol, acetate, (9E)- (9CI)
SCHEMBL1301274CHEBI:137771VAKBQCYSUVICLV-CMDGGOBGSA-NDTXSID601378634HY-N12902LMFA07010347TN7896AS-92803
Database identifiers
- CAS
56218-69-0- PubChem CID
- 5352787
- DTXSID
DTXSID601378634- ChEBI
CHEBI:137771- Nikkaji
- J1.015.706D
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 365.046 · 365.046±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.875 · 0.875±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
Uses(E)-9-Hexadecenyl acetate ((E)-9-HDA) is an insect pheromone that can be isolated from Elasmopalpus lignosellus[1].
Additional notes
DefinitionChEBI: 9E-hexadecenyl acetate is a carboxylic ester.
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Compound notes
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