Menthyl Acetate Details
:
IUPAC Name
(5-methyl-2-propan-2-ylcyclohexyl) acetate
:Chemical Class
:CAS Registry Number
16409-45-3
:Description
:Fragrance Type
mint
Physical and Chemical properties
| PUBCHEM ID | 27867 |
| Molecular Weight (g/mol) | 198.302 |
| Molecular Formula | C12H22O2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| IUPAC Name | (5-methyl-2-propan-2-ylcyclohexyl) acetate |
| Canonical SMILES | CC(=O)OC1CC(C)CCC1C(C)C |
| PUBCHEM IUPAC INCHIKEY | XHXUANMFYXWVNG-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.156 |
Absorption and Metabolism information
| XLOGP3 AA | 3.6 |
| CACTVS TPSA | 26.3 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.158 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 5.41977 g/kg_body_weight |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
