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.