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 ID | 16666 |
| Molecular Weight (g/mol) | 156.265 |
| Molecular Formula | C10H20O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Canonical SMILES | CC(C)C1CCC(C)CC1O |
| PUBCHEM IUPAC INCHIKEY | NOOLISFMXDJSKH-KXUCPTDWSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.019 |
Absorption and Metabolism information
| XLOGP3 AA | 3 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.779 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.95751 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | TRPM8, TRPA1, TRPV3, OPRK1, TAC1, UGT2B4, IDO1, TRPV1, KCNMA1, IL1B, TOP1, CFTR, SLC12A2 |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
