3-Hexen-1-ol

HCID 10993CAS 544-12-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC=CCCO
InChIKey
UFLHIIWVXFIJGU-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Overview

3-Hexen-1-ol has been reported in Perilla frutescens, Artemisia princeps, and other organisms with data available.

Names & identifiers

Preferred name
3-Hexen-1-ol
IUPAC
hex-3-en-1-ol

Names & synonyms

Hex-3-en-1-ol3-Hexen-1-ol544-12-7DTXSID3047217CHEBI:1457152PL1637OP6RefChem:911341DTXCID1027217208-860-0gamma-Hexenol(Z)-3-Hexen-1-oSCHEMBL96294
Show more names
SCHEMBL96295(E);-Hex-3-en-1-ol3-HEXEN-1-OL, TECHSCHEMBL3866804SCHEMBL6272941SCHEMBL7366787SCHEMBL16445265AKOS025243595

Database identifiers

CAS
544-12-7
PubChem CID
10993
DTXSID
DTXSID3047217
EC Number
208-860-0

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (3-Hexen-1-ol (isomer unspecified)) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (90.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 3-Hexen-1-ol

3-Hexen-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (90.6%)

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients
General Manufacturing Information3-Hexen-1-ol: ACTIVE

Related reactions

9 records
New reaction record

Linked notes

Loading…