AromaDb: A Database of Plant's Aroma Molecules

(E)-2-Hexenol Details

: IUPAC Name
(E)-hex-2-en-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
928-95-0
:Description

(Z)-2-Hexen-1-ol is found in cereals and cereal products. (Z)-2-Hexen-1-ol is a constituent of currants and hops. (Z)-2-Hexen-1-ol is a food flavouring for baked goods and candies producing a fresher note than the E-isomer.

:Fragrance Type
waalnut

Physical and Chemical properties

PUBCHEM ID5318042
Molecular Weight (mg/mol)100.159
Molecular FormulaC6H12O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name(E)-hex-2-en-1-ol
Canonical SMILESCCC/C=C/CO
PUBCHEM IUPAC INCHIKEYZCHHRLHTBGRGOT-SNAWJCMRSA-N
Solubility Level4
Vapour Pressure0.181

Absorption and Metabolism information

XLOGP3 AA1.4
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.573
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.55033 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 928-95-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 928-95-0 (E)-2-Hexenol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Starflower Borago officinalis essential oil
2 Languas galanga Alpinia galanga essential oil
3 Sweet violet Viola odorata essential oil

Compound Image


2D Structure

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(External database - ChemAxon)