AromaDb: A Database of Plant's Aroma Molecules

Alpha-Terpinene Details

: IUPAC Name
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
:Chemical Class
:CAS Registry Number
99-86-5
:Description

:Fragrance Type
pine

Physical and Chemical properties

PUBCHEM ID7462
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name1-methyl-4-propan-2-ylcyclohexa-1,3-diene
Canonical SMILESC/C1=C/C=C(C(C)C)CC1
PUBCHEM IUPAC INCHIKEYYHQGMYUVUMAZJR-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.119

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.448
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 ToxicityToxic
Rat Oral LD501.15102 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesIL1B, IL10, TNF

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 99-86-5
2 99-86-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 99-86-5 Alpha-Terpinene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
2 Peppermint Pranjal Mentha piperita Pranjal essential oil
3 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
4 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
5 Clarysage CIM-Chandni Salvia sclarea CIM-Chandni essential oil
6 Curry tree Murraya koenigii essential oil
7 Lemon beebalm, Lemon mint Monarda citriodora essential oil
8 Oliveria Oliveria decumbens essential oil
9 Water dropwort Oenanthe crocata essential oil
10 Water dropwort Oenanthe crocata essential oil
11 Oregano Origanum vulgare essential oil
12 Feverfew Tanacetum parthenium essential oil
13 Garden angelica Angelica archangelican essential oil
14 Gum rockrose Cistus ladanifer essential oil
15 Gum rockrose Cistus ladanifer ESSENTIAL OIL
16 Lemon myrtle, Lemon scented myrtle, Lemon scented ironwood Backhousia citriodora essential oil
17 Myrtle Myrtus communis essential oil
18 Blackcurrant Ribes nigrum essential oil
19 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
20 Common yarrow Achillea millefolium essential oil
21 Mexican pepperleaf Piper auritum essential oil
22 Mexican pepperleaf Piper auritum essential oil
23 Pistachio Pistacia vera essential oil
24 Bulgarian fir Abies borisii-regis essential oil
25 Abies cephalonica Abies cephalonica essential oil
26 silver fir Abies alba essential oil
27 sweet yarrow Achillea ageratum essential oil
28 Aframomum stipulatum Aframomum stipulatum
29 Amyris elimifera Amyris elimifera essential oil
30 Sitafal Annona cherimola essential oil
31 Sitafal Annona cherimola essential oil
32 Sitafal Annona cherimola essential oil
33 Custard apple Annona reticulata essential oil
34 Artemisia dracunculus Artemisia dracunculus essential oil
35 Artemisia dracunculus Artemisia dracunculus essential oil
36 Chaerophyllum villosum Chaerophyllum villosum essential oil
37 Chaerophyllum villosum Chaerophyllum villosum essential oil
38 Chrysanthemum coronarium Chrysanthemum indicum essential oil
39 Mums Chrysanthemum indicum essential oil
40 Chikras Chukrasia tabularis essential oil
41 Coriandrum Sativum Coriandrum sativum essential oil
42 Coriandrum Sativum Coriandrum sativum essential oil
43 Wild carrot Daucus carota ssp. carota essential oil
44 Wild carrot Daucus carota essential oil
45 Satureja hortensis Satureja hortensis essential oil
46 Southern blue-gum Eucalyptus globulus essential oil

Compound Image


2D Structure

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