3-Hexen-1-ol
-
3-Hexen-1-ol
structure -
-
CAS No:
544-12-7
-
Formula:
C6H12O
-
Chemical Name:
3-Hexen-1-ol
-
Synonyms:
3-Hexen-1-ol;1-Hydroxy-3-hexene;β-γ-Hexenol
-
CAS No:
Characteristics
20.23000
1.33500
Colourless liquid; Grassy green aroma
0.8442 g/cm3 @ Temp: 24 °C
129-130 °C @ Solvent: Benzene, Cyclohexane, Acetone
156.5 °C
44.4ºC
n20/D 1.439(lit.)
Soluble in water and most fixed oils
Safety Information
UN 1987 3
3
23-24/25
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (90.49%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 263 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Hexen-1-ol Use and Manufacturing
Odor agents
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|3-Hexen-1-ol, (3Z)-: ACTIVE|3-Hexen-1-ol: ACTIVE|3-Hexen-1-ol, (3E)-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:100.16
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:48.1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes