AromaDb: A Database of Plant's Aroma Molecules

Beta-Phellandrene Details

: IUPAC Name
3-methylidene-6-propan-2-ylcyclohexene
:Chemical Class
:CAS Registry Number
555-10-2
:Description

:Fragrance Type
terpentine

Physical and Chemical properties

PUBCHEM ID11142
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name3-methylidene-6-propan-2-ylcyclohexene
Canonical SMILESC=C1/C=CC(C(C)C)CC1
PUBCHEM IUPAC INCHIKEYLFJQCDVYDGGFCH-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA3.4
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.308
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 LD501.32741 g/kg_body_weight
Ocular IrritancyMild
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
1 555-10-2 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 555-10-2 Beta-Phellandrene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Fennel, Saunf CIM-sujal Foeniculum vulgare CIM-Sujal essential oil
2 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
3 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
4 Curry tree Murraya koenigii essential oil
5 American wild mint Mentha essential canadensis essential oil
6 Oliveria Oliveria decumbens essential oil
7 Water dropwort Oenanthe crocata essential oil
8 Water dropwort Oenanthe crocata essential oil
9 Levisticum officinalis Levisticum aofficinalis essential oil
10 Kuth Saussurea lappa essential oil
11 American pepper Schinus molle essential oil
12 Oregano Origanum vulgare essential oil
13 Gum rockrose Cistus ladanifer essential oil
14 Gum rockrose Cistus ladanifer ESSENTIAL OIL
15 Blackcurrant Ribes nigrum essential oil
16 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
17 Hyssopus Hyssopus officinalis essential oil
18 Common hop Humulus lupulus essential oil
19 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
20 Abies cephalonica Abies cephalonica essential oil
21 silver fir Abies alba essential oil
22 Abies sachalinensis Abies sachalinensis essential oil
23 Ginger Zingiber officinale essential oil
24 Aframomum stipulatum Aframomum stipulatum
25 Black cardamom Amomum subulatum essential oil
26 Holy Ghost Angelica archangelica essential oil
27 Sitafal Annona cherimola essential oil
28 Sitafal Annona cherimola essential oil
29 Sitafal Annona cherimola essential oil
30 Artemisia dracunculus Artemisia dracunculus essential oil
31 Artemisia dracunculus Artemisia dracunculus essential oil
32 Bushkiller Cayratia japonica essential oil
33 Bushkiller Cayratia japonica essential oil
34 Chaerophyllum villosum Chaerophyllum villosum essential oil
35 Chaerophyllum villosum Chaerophyllum villosum essential oil
36 Chrysanthemum coronarium Chrysanthemum indicum essential oil
37 Fireweed Crassocephalum crepidioides essential oil
38 Fireweed Crassocephalum crepidioides essential oil
39 Wild carrot Daucus carota ssp. carota essential oil
40 Satureja hortensis Satureja hortensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)