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| | 3,3,5-Trimethylcyclohexanol Basic information |
| Product Name: | 3,3,5-Trimethylcyclohexanol | | Synonyms: | 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- | | CAS: | 116-02-9 | | MF: | C9H18O | | MW: | 142.24 | | EINECS: | 204-122-7 | | Product Categories: | 1 | | Mol File: | 116-02-9.mol |  |
| | 3,3,5-Trimethylcyclohexanol Chemical Properties |
| Melting point | 30-32 °C | | Boiling point | 193-196 °C | | density | 0.86 | | vapor pressure | 1 hPa (50 °C) | | refractive index | 1.4559 (estimate) | | FEMA | 3962 | 3,5,5-TRIMETHYLCYCLOHEXANOL | | Fp | 81 °C | | storage temp. | Store below +30°C. | | solubility | 1.8 g/L | | pka | 15.35±0.60(Predicted) | | form | powder to lump to clear liquid | | 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 | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3 | | InChIKey | BRRVXFOKWJKTGG-UHFFFAOYSA-N | | SMILES | OC1CC(CC(C)(C1)C)C | | LogP | 2.87 | | CAS DataBase Reference | 116-02-9(CAS DataBase Reference) | | NIST Chemistry Reference | Cyclohexanol, 3,3,5-trimethyl-(116-02-9) | | EPA Substance Registry System | Cyclohexanol, 3,3,5-trimethyl- (116-02-9) |
| Hazard Codes | Xi | | Risk Statements | 36 | | Safety Statements | 39-26 | | RIDADR | UN1760 | | WGK Germany | WGK 1 slightly water endangering | | RTECS | GW0875000 | | Autoignition Temperature | 375 °C DIN 51794 | | TSCA | TSCA listed | | HS Code | 2906 19 00 | | HazardClass | 8 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2 | | Hazardous Substances Data | 116-02-9(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 3250 mg/kg LD50 dermal Rabbit 2430 mg/kg |
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ACROS
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| | 3,3,5-Trimethylcyclohexanol Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALLINE MASS. Soluble in most organic solvents, hydrocarbons, oils; insoluble in water. Combustible. | | Chemical Properties | 3,3,5-Trimethyl cyclohexanol has a menthol-like camphorous odor. | | Occurrence | Has apparently not been reported to occur in nature. | | Uses | Menthol and camphor substitute, antifoaming
agent, hydraulic fluids and textile soaps, odor masking,
esterification agent, pharmaceuticals,wax additive,
printing inks. | | 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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| | 3,3,5-Trimethylcyclohexanol Preparation Products And Raw materials |
| 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 |
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