| Identification | More | [Name]
3,3,5-Trimethylcyclohexanol | [CAS]
116-02-9 | [Synonyms]
3,3,5-trimethyl-1-cyclohexanol
3,3,5-TRIMETHYLCYCLOHEXANOL
3,5,5-TRIMETHYLCYCLOHEXANOL
CYCLONOL
DIHYDROISOPHOROL
HOMOMENTHOL
M-HOMOMENTHOL
1-methyl-3-dimethylcyclohexanol-5
3,3,5-trimethyl
3,3,5-trimethyl-cyclohexano
3,3,5-Trimethylcyclohexanol (c,t)
3,3,5-Trimethylcyclohexanol,c&t
3,3,5-trimethylcyclohexanol,mixtureofcisandtrans
dihydro-isophoro
Isophorol, dihydro-
TMC
trimethylcyclohexanol
3,3,5-TRIMETHYLCYCLOHEXANE
Cyclohexanol, 3,3,5-trimethyl-
3,3,5-TRIMETHYLCYCLOHEXANOL CIS-AND TRANS-MIXTURE): 90% | [EINECS(EC#)]
204-122-7 | [Molecular Formula]
C9H18O | [MDL Number]
MFCD00019378 | [Molecular Weight]
142.24 | [MOL File]
116-02-9.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE CRYSTALLINE MASS | [Melting point ]
30-32 °C | [Boiling point ]
193-196 °C | [density ]
0.86 | [vapor pressure ]
1 hPa (50 °C) | [FEMA ]
3962 | [refractive index ]
1.4559 (estimate) | [Fp ]
81 °C
| [storage temp. ]
Store below +30°C. | [form ]
powder to lump to clear liquid | [pka]
15.35±0.60(Predicted) | [color ]
A translucent, colourless, fused mass or crystals with a powerful menthol-like odour | [Odor]
at 100.00 %. mint cool mentholic musty spicy | [PH]
7 (1.8g/l, H2O, 20°C) | [explosive limit]
1.5%(V) | [Odor Type]
minty | [Water Solubility ]
1.8 g/L (20 ºC) | [JECFA Number]
1099 | [LogP]
2.87 | [Uses]
Menthol and camphor substitute, antifoaming
agent, hydraulic fluids and textile soaps, odor masking,
esterification agent, pharmaceuticals,wax additive,
printing inks. | [CAS DataBase Reference]
116-02-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Cyclohexanol, 3,3,5-trimethyl-(116-02-9) | [EPA Substance Registry System]
116-02-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes. | [Safety Statements ]
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
WGK 1 slightly water endangering | [RTECS ]
GW0875000 | [Autoignition Temperature]
375 °C DIN 51794 | [HS Code ]
2906 19 00 | [Hazardous Substances Data]
116-02-9(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 3250 mg/kg LD50 dermal Rabbit 2430 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
4-METHYL-1-CYCLOHEXENE-->(5R)-3,3,5-trimethylcyclohexan-1-one-->3,3,5-Trimethylcyclohexanone | [Preparation Products]
Cyclohexanone, 3,3,5-trimethyl-, (5S)--->3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL-->CYCLANDELATE |
| Hazard Information | Back Directory | [Chemical Properties]
3,3,5-Trimethyl cyclohexanol has a menthol-like camphorous odor. | [Chemical Properties]
WHITE CRYSTALLINE MASS. Soluble in most organic solvents, hydrocarbons, oils; insoluble in water. Combustible.
| [Occurrence]
Has apparently not been reported to occur in nature. | [Definition]
ChEBI: 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). | [Preparation]
By complete hydrogenation of isophorone (Arctander, 1969). | [Synthesis Reference(s)]
Tetrahedron, 37, p. 1171, 1981 DOI: 10.1016/S0040-4020(01)92046-0 | [Hazard]
Toxic by inhalation, strong irritant. | [Synthesis]
Trimethyl cyclohexanol is synthesized by complete hydrogenation of isoPhorone. Dehydration of the title material with Zinc chloride yields alpha-Cyclogeraniolene.
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