Chemical Property of 1-Octen-3-yl acetate
Chemical Property:
- Vapor Pressure:0.213mmHg at 25°C
- Melting Point:-89.9°C (estimate)
- Refractive Index:n20/D 1.425(lit.)
- Boiling Point:80 ºC (15 mmHg)
- Flash Point:165 ºF
- PSA：26.30000
- Density:0.878
- LogP:2.68440
- Storage Temp.:2-8°C
- XLogP3:3.1
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:7
- Exact Mass:170.130679813
- Heavy Atom Count:12
- Complexity:141
- Purity/Quality:
-
99% *data from raw suppliers
1-Octen-3-yl Acetate *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:Xn
- Statements:
22-43
- Safety Statements:
36
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC(C=C)OC(=O)C
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Description
1-Octen-3-yl acetate is an ester composed of acetic acid and oct-1-en-3-ol. It exists as two enantiomers and can be obtained as a racemic mixture.
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Sources
Found in lavender oil and various foods such as Agastache species, Melon Mentha oils, Mushroom, and Thyme (Thymus species).
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Uses
Fragrance Ingredient:
Commonly used in fragrances due to its pleasant odor profile.
Food Flavoring:
Present in various foods and natural complex substances, contributing to their aroma.
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Safety Assessment
Evaluated for genotoxicity, repeated dose toxicity, reproductive toxicity, local respiratory toxicity, phototoxicity/photoallergenicity, skin sensitization, and environmental safety. Considered non-genotoxic and non-clastogenic. Classified as a sensitizer but not phototoxic/photoallergenic.
