4-METHYLCYCLOHEXANONE
4-Methylcyclohexanone
CAS: 589-92-4
Molecular Formula: C7H12O
4-METHYLCYCLOHEXANONE - Names and Identifiers
| Name | 4-Methylcyclohexanone |
| Synonyms | NSC 3816 AI3-15916 FEMA 3948 BRN 0506746 TETRAHYDRO-P-CRESOL 4-Methylcyclohexanone 4-METHYLCYCLOHEXANONE P-METHYLCYCLOHEXANONE 4-methyl-cyclohexanon methyl-4cyclohexanone-1 4-Methyl-1-cyclohexanone Methyl-4 cyclohexanone-1 Cyclohexanone, 4-methyl- Methyl-4 cyclohexanone-1 [French] 4-07-00-00044 (Beilstein Handbook Reference) |
| CAS | 589-92-4 |
| EINECS | 209-665-3 |
| InChI | InChI=1/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3 |
| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
4-METHYLCYCLOHEXANONE - Physico-chemical Properties
| Molecular Formula | C7H12O |
| Molar Mass | 112.17 |
| Density | 0.914 g/mL at 25 °C (lit.) |
| Melting Point | -41 °C |
| Boling Point | 169-171 °C (lit.) |
| Flash Point | 105°F |
| JECFA Number | 1104 |
| Water Solubility | Not miscible in water. |
| Vapor Presure | 20 hPa (65 °C) |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| BRN | 506746 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.4443(lit.) |
| Physical and Chemical Properties | Colorless liquid, acetone-like. Melting Point -40.6 ℃, boiling point of 170 ℃, relative density of 0.914/4 ℃, refractive index of 1.4451,75 ℃ when nitric acid can be explosive. Flash point 48 °c. Soluble in alcohol, ether, insoluble in water. |
4-METHYLCYCLOHEXANONE - Risk and Safety
| Risk Codes | R10 - Flammable R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R2017/10/22 - |
| Safety Description | S16 - Keep away from sources of ignition. S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves. S23 - Do not breathe vapour. |
| UN IDs | UN 2297 3/PG 3 |
| WGK Germany | 1 |
| RTECS | GW1750200 |
| TSCA | Yes |
| HS Code | 29142200 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 800 mg/kg |
4-METHYLCYCLOHEXANONE - Reference Information
| FEMA | 3948 | 4-METHYLCYCLOHEXANONE |
| LogP | 1.33 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Methyl Nitrosourea Intermediate. It can also be used as a solvent. |
| Production method | Made by oxidation of methylcyclohexanol. |
Last Update：2024-04-10 22:29:15
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