Hexalure
Basic information
- CAS
23192-42-9- Standard SMILES
CCCCCCCC/C=C\CCCCCCOC(C)=O- InChIKey
QVXFGVVYTKZLJN-KHPPLWFESA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
7Z-Hexadecenyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- Hexalure
- IUPAC
- [(Z)-hexadec-7-enyl] acetate
- English name
- (Z)-hexadec-7-enyl acetate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
Hexalure23192-42-97-Hexadecen-1-ol acetate2Z6R353O74DTXSID601032292RefChem:922928DTXCID201517298245-480-4(Z)-7-Hexadecenyl acetateHexalene(Z)-Hexadec-7-enyl acetate[(Z)-hexadec-7-enyl] acetate
Show more names
7Z-16AcAi3-33478Brn 2329612
cis-7-Hexadecenyl acetate7Z-Hexadecenyl acetate7-Hexadecen-1-ol, acetate, (Z)-z-7-hexadecenyl acetate(7Z)-7-Hexadecenyl acetateHexamone(Z)-7-Hexadecen-1-ol acetateEINECS 245-480-4
Database identifiers
- CAS
23192-42-9- PubChem CID
- 5363554
- DTXSID
DTXSID601032292- ChEBI
CHEBI:196176- UNII
- 2Z6R353O74
- EC Number
- 245-480-4
- Nikkaji
- J4.084C
Properties
Computed structural properties
- XLogP
- 6.9
- 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
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.001 · bp0.001 100-104°
- Density
- 0.875 · 0.875±0.06 g/cm3(Predicted)
- refractive index
- 25 · nD25 1.4484
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 Z6R353O74 · 2Z6R353O74
- Toxicity
- 50 in · LD50 in rats (mg/kg): >34600 orally; in rabbits (mg/kg): >2025 dermally (Beroza)
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
- Toxicity
- LD50 in rats (mg/kg): >34600 orally; in rabbits (mg/kg): >2025 dermally (Beroza)
Chemistry & industry
Applications
UsesInsect attractant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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