AromaDb: A Database of Plant's Aroma Molecules

Menthol Details

: IUPAC Name
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
:Chemical Class
Monoterpene
:CAS Registry Number
2216-51-5
:Description

It is used as nonprescription products for short-term relief of minor sore throat and minor mouth or throat irritation. As an antipruritic to reduce itching, in perfumery, menthol is used to prepare menthyl esters to emphasize floral notes (especially rose).

:Fragrance Type
Mint

Physical and Chemical properties

PUBCHEM ID16666
Molecular Weight (mg/mol)156.265
Molecular FormulaC10H20O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Canonical SMILESCC(C)C1CCC(C)CC1O
PUBCHEM IUPAC INCHIKEYNOOLISFMXDJSKH-KXUCPTDWSA-N
Solubility Level3
Vapour Pressure-1.019

Absorption and Metabolism information

XLOGP3 AA3
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.779
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.95751 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes TRPM8, TRPA1, TRPV3, OPRK1, TAC1, UGT2B4, IDO1, TRPV1, KCNMA1, IL1B, TOP1, CFTR, SLC12A2

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 2216-51-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2216-51-5 Menthol

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 Kalka Mentha arvensis Kalka essential oil
7 Menthol mint, Corn mint, Japanese mint Saksham Mentha arvensis Saksham essential oil
8 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
9 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
10 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
11 Peppermint Pranjal Mentha piperita Pranjal essential oil
12 Peppermint Kukrail Mentha piperita Kukrail essential oil
13 Peppermint Tushar Mentha piperita Tushar essential oil
14 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
15 Spearmint Neera Mentha spicata Neera essential oil
16 American wild mint Mentha essential canadensis essential oil
17 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
18 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
19 Garden angelica Angelica archangelican essential oil
20 Coriandrum Sativum Coriandrum sativum essential oil
21 Coriandrum Sativum Coriandrum sativum essential oil
22 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)