116-02-9
3,3,5-Trimethylcyclohexanol
CAS: 116-02-9;611-02-9
Molecular Formula: C9H18O
116-02-9 - Names and Identifiers
116-02-9 - Physico-chemical Properties
| Molecular Formula | C9H18O |
| Molar Mass | 142.24 |
| Density | 0.86 |
| Melting Point | 30-32 °C |
| Boling Point | 193-196 °C |
| Flash Point | 81 °C |
| JECFA Number | 1099 |
| Water Solubility | 1.8 g/L (20 ºC) |
| Vapor Presure | 1 hPa (50 °C) |
| Appearance | White crystal block |
| Color | A translucent, colourless, fused mass or crystals with a powerful menthol-like odour |
| pKa | 15.35±0.60(Predicted) |
| PH | 7 (1.8g/l, H2O, 20°C) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.5%(V) |
| Refractive Index | 1.4559 (estimate) |
| MDL | MFCD00019378 |
| Physical and Chemical Properties | Colorless liquid. Boiling Point 67-68 ℃/333Pa, relative density 0.817, refractive index 1.4215, Flash Point 46 ℃, toxicity and irritation, there are a variety of isomers. |
| Use | It is an intermediate in the synthesis of cyclic mandelic acid esters and an intermediate in the synthesis of new plasticizers, lubricants, dinitriles, diamines and alcohols |
116-02-9 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | 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 |
| RTECS | GW0875000 |
| HS Code | 2906 19 00 |
| Toxicity | LD50 orally in Rabbit: 3250 mg/kg LD50 dermal Rabbit 2430 mg/kg |
116-02-9 - Introduction
Boiling point: 67-68 ℃ flash point: 46 ℃ density: 0.817 refractive index: 1.4215
Last Update：2022-10-16 17:12:23
116-02-9 - Reference Information
| FEMA | 3962 | 3,5,5-TRIMETHYLCYCLOHEXANOL |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | 3,3, 5-trimethylcyclohexanol is a white or white-like crystalline powder, which is an intermediate for the synthesis of cyclomandelate and an intermediate for the synthesis of new plasticizers, lubricants, dinitriles, diamines and alcohols. |
| uses | intermediates of cyclomentyl ester. It is an intermediate for the synthesis of cyclomandelate, and also an intermediate for the synthesis of new plasticizers, lubricants, dinitriles, diamines and alcohols |
| Production method | It is prepared by reducing 1,5, 5-trimethylcyclohexene-3-one. |
| spontaneous combustion temperature | 375°C DIN 51794 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
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