AromaDb: A Database of Plant's Aroma Molecules

(Z)-Beta-Ocimene Details

: IUPAC Name
(3Z)-3,7-dimethylocta-1,3,6-triene
:Chemical Class
Monoterpene
:CAS Registry Number
3338-55-4
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID5320250
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
IUPAC Name(3Z)-3,7-dimethylocta-1,3,6-triene
Canonical SMILESC=C/C(C)=C/C/C=C(C)/C
PUBCHEM IUPAC INCHIKEYIHPKGUQCSIINRJ-NTMALXAHSA-N
Solubility Level3
Vapour Pressure0.017

Absorption and Metabolism information

XLOGP3 AA4.3
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.634
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.21143 g/kg_body_weight
Ocular IrritancyModerate
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 3338-55-4
2 3338-55-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3338-55-4 (Z)-Beta-Ocimene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Menthol mint, Corn mint, Japanese mint Gomti Mentha arvensis Gomti essential oil
2 Menthol mint, Corn mint, Japanese mint MAS-1 Mentha arvensis MAS-1 essential oil
3 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
4 Menthol mint, Corn mint, Japanese mint Himalaya Mentha arvensis Himalaya essential oil
5 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
6 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
7 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
8 Clarysage CIM-Chandni Salvia sclarea CIM-Chandni essential oil
9 French basil, Indian basil, Sweet basil CIM-Saumya Ocimum basilicum CIM-Saumya essential oil
10 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
11 Geranium Pelargonium roseum essential oil
12 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
13 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
14 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
15 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
16 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
17 Hook Cymbopogon microstachys essential oil
18 Curry tree Murraya koenigii essential oil
19 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
20 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
21 Lemongrass Chirharit Cymbopogon flexuosus Chirharit essential oil
22 Lemongrass CIMAP-Suwarna Cymbopogon flexuosus CIMAP-Suwarna essential oil
23 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
24 Lemongrass Krishna Cymbopogon flexuosus krishna essential oil
25 Lemongrass Praman Cymbopogon flexuosus praman essential oil
26 Lemongrass T-1 Cymbopogon flexuosus T-1 essential oil
27 Java Cittronella Jalpallavi Cymbopogon winterianus Jalpallavi essential oil
28 Tegetes Vanphool Tagetes minuta Vanphool essential oil
29 Oregano Origanum vulgare essential oil
30 Garden angelica Angelica archangelican essential oil
31 Clove basil, African basil Ocimum gratissimum essential oil
32 Horse Mint Mentha longifolia essential oil
33 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
34 Catnip, Catswort, or Catmint Nepeta cataria essential oil
35 Garden heliotrope Heliotropium floridum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)