116-02-9
Product Name:
3,3,5-Trimethylcyclohexanol
Formula:
C9H18O
Synonyms:
3,3,5-Trimethylcyclohexanol;Homomenthol, Dihydroisophorol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Pellets or Large Crystals |
|---|---|
| Color/Form | LIQ |
| Boiling Point | 198 °C |
| Melting Point | 37.0 °C |
| Flash Point | 73.9 °C |
| Solubility | SLIGHTLY SOL IN WATER |
| Density | 0.878 @ 40 °C/20 °C |
| Vapor Density | 4.9 (AIR= 1) |
| Vapor Pressure | 0.1 [mmHg] |
| Decomposition | MODERATELY DANGEROUS; WHEN HEATED, IT EMITS TOXIC FUMES |
| Kovats Retention Index | 1043 |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.135765193 g/mol |
| Monoisotopic Mass | 142.135765193 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 118 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,3,5-trimethylcyclohexanol is a secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88). It has a role as an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor. It is a member of cyclohexanols and a secondary alcohol.