AromaDb: A Database of Plant's Aroma Molecules

Terpinolene Details

: IUPAC Name
1-methyl-4-propan-2-ylidenecyclohexene
:Chemical Class
:CAS Registry Number
586-62-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID11463
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name1-methyl-4-propan-2-ylidenecyclohexene
Canonical SMILESC/C(C)=C1C/C=C(C)CC1
PUBCHEM IUPAC INCHIKEYMOYAFQVGZZPNRA-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-0.047

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.643
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.65643 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
1 586-62-9 AKT1 Homo sapiens terpinolene results in decreased expression of AKT1 protein decreases^expression 22740904
2 586-62-9 AKT1 Homo sapiens terpinolene results in decreased expression of AKT1 protein decreases^expression 22740904
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 586-62-9 Terpinolene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
2 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
3 Curry tree Murraya koenigii essential oil
4 American wild mint Mentha essential canadensis essential oil
5 Oliveria Oliveria decumbens essential oil
6 Lemongrass Krishna Cymbopogon flexuosus krishna essential oil
7 Lemongrass Praman Cymbopogon flexuosus praman essential oil
8 Water dropwort Oenanthe crocata essential oil
9 Water dropwort Oenanthe crocata essential oil
10 Levisticum officinalis Levisticum aofficinalis essential oil
11 Oregano Origanum vulgare essential oil
12 Garden angelica Angelica archangelican essential oil
13 Gum rockrose Cistus ladanifer essential oil
14 Gum rockrose Cistus ladanifer ESSENTIAL OIL
15 Southern magnolia Magnolia grandiflora essential oil
16 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
17 Catnip, Catswort, or Catmint Nepeta cataria essential oil
18 Common yarrow Achillea millefolium essential oil
19 Mexican pepperleaf Piper auritum essential oil
20 Mexican pepperleaf Piper auritum essential oil
21 Bulgarian fir Abies borisii-regis essential oil
22 Abies cephalonica Abies cephalonica essential oil
23 silver fir Abies alba essential oil
24 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
25 Goatweed Ageratum conyzoides essential oil
26 Amyris elimifera Amyris elimifera essential oil
27 Sitafal Annona cherimola essential oil
28 Sitafal Annona cherimola essential oil
29 Sitafal Annona cherimola essential oil
30 Custard apple Annona reticulata essential oil
31 Artemisia dracunculus Artemisia dracunculus essential oil
32 Artemisia dracunculus Artemisia dracunculus essential oil
33 Chaerophyllum villosum Chaerophyllum villosum essential oil
34 Chaerophyllum villosum Chaerophyllum villosum essential oil
35 Cupressus sempervirens Cupressus sempervirens essential oil
36 Wild carrot Daucus carota ssp. carota essential oil
37 Dictamnus albus Dictamnus albus essential oil
38 Hibiscus surattensis Hibiscus surattensis essential oil
39 Southern blue-gum Eucalyptus globulus essential oil
40 Pitanga Eugenia uniflora essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)