AromaDb: A Database of Plant's Aroma Molecules

Elemol Details

: IUPAC Name
2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID547972
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol
Canonical SMILESC=CC1(C)CCC(C(C)(C)O)CC1C(=C)C
PUBCHEM IUPAC INCHIKEYGFJIQNADMLPFOW-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.839

Absorption and Metabolism information

XLOGP3 AA4.4
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.7
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 LD505.57367 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Elemol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Holy Basil, Tulsi CIM-Angana Ocimum sanctum CIM-Angana essential oil
2 Holy Basil, Tulsi CIM-Kanchan Ocimum sanctum CIM-Kanchan essential oil
3 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
4 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
5 Peppermint Kukrail Mentha piperita Kukrail essential oil
6 Peppermint Tushar Mentha piperita Tushar essential oil
7 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
8 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
9 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
10 Lemon grass Cymbopogan citratus essential oil
11 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
12 Java Cittronella Manjari Cymbopogon winterianus Manjari essential oil
13 Java Cittronella Manjusha Cymbopogon winterianus Manjusha essential oil
14 Vetiver, Khus Dharni Vetiver zizanoides Dharni essential oil
15 White turmeric Curcuma zedoaria essential oil
16 Agarwood plant Aquilaria sinensis essential oil
17 Kuth Saussurea lappa essential oil
18 Clove basil, African basil Ocimum gratissimum essential oil
19 Frangipani Plumeria obtusa essential oil
20 Frangipani Plumeria obtusa essential oil
21 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
22 Sitafal Annona cherimola essential oil
23 Sitafal Annona cherimola essential oil
24 Sitafal Annona cherimola essential oil
25 Custard apple Annona reticulata essential oil
26 Plymouth thistle Carduus pycnocephalus essential oil
27 Satureja hortensis Satureja hortensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)