AromaDb: A Database of Plant's Aroma Molecules

3-hexenol Details

: IUPAC Name
(Z)-hex-3-en-1-ol
:Chemical Class
:CAS Registry Number
928-96-1
:Description

:Fragrance Type
grass

Physical and Chemical properties

PUBCHEM ID5281167
Molecular Weight (mg/mol)100.159
Molecular FormulaC6H12O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name(Z)-hex-3-en-1-ol
Canonical SMILESCC/C=C/CCO
PUBCHEM IUPAC INCHIKEYUFLHIIWVXFIJGU-ARJAWSKDSA-N
Solubility Level4
Vapour Pressure-0.427

Absorption and Metabolism information

XLOGP3 AA1.3
CACTVS TPSA20.2
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.438
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 ToxicityToxic
Rat Oral LD503.63231 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol binds to GOBP2 protein affects^binding 9219366
2 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol binds to GOBP2 protein affects^binding 9219366
3 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol binds to GOBP2 protein affects^binding 9219366
4 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol binds to GOBP2 protein affects^binding 9219366
5 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol binds to GOBP2 protein affects^binding 9219366
6 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] affects^binding|decreases^reaction 9219366
7 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] affects^binding|decreases^reaction 9219366
8 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] affects^binding|decreases^reaction 9219366
9 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] affects^binding|decreases^reaction 9219366
10 928-96-1 GOBP2 Manduca sexta 3-hexen-1-ol inhibits the reaction [6,11-hexadecadienyl diazoacetate analog binds to GOBP2 protein] affects^binding|decreases^reaction 9219366
11 928-96-1 POMC Rattus norvegicus [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein affects^cotreatment|decreases^expression 21515296
12 928-96-1 POMC Rattus norvegicus [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein affects^cotreatment|decreases^expression 21515296
13 928-96-1 POMC Rattus norvegicus [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein affects^cotreatment|decreases^expression 21515296
14 928-96-1 POMC Rattus norvegicus [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein affects^cotreatment|decreases^expression 21515296
15 928-96-1 POMC Rattus norvegicus [2,5-dihydro-2,4,5-trimethylthiazoline co-treated with 3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC protein affects^cotreatment|decreases^expression 21515296
16 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] affects^cotreatment|decreases^expression|decreases^reaction 21515296
17 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] affects^cotreatment|decreases^expression|decreases^reaction 21515296
18 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] affects^cotreatment|decreases^expression|decreases^reaction 21515296
19 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] affects^cotreatment|decreases^expression|decreases^reaction 21515296
20 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] inhibits the reaction [2,5-dihydro-2,4,5-trimethylthiazoline results in decreased expression of POMC protein] affects^cotreatment|decreases^expression|decreases^reaction 21515296
21 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC affects^cotreatment|decreases^expression 19103229
22 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC affects^cotreatment|decreases^expression 19103229
23 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC affects^cotreatment|decreases^expression 19103229
24 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC affects^cotreatment|decreases^expression 19103229
25 928-96-1 POMC Rattus norvegicus [3-hexen-1-ol co-treated with 2-hexenal] results in decreased expression of POMC affects^cotreatment|decreases^expression 19103229
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 928-96-1 3-hexenol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Horsechestnut Aesculus hippocastanum essential oil

Compound Image


2D Structure

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