4-TERT-BUTYLCYCLOHEXANONE
4-tert-Butylcyclohexanone
CAS: 98-53-3
Molecular Formula: C10H18O
4-TERT-BUTYLCYCLOHEXANONE - Names and Identifiers
| Name | 4-tert-Butylcyclohexanone |
| Synonyms | 4CO 98-53-3 AKOS BBS-00000687 Butylcyclohexanone TIMTEC-BB SBB007656 Tert-butyl cyclihexanone 4-tert-Butylcyclohexanone P-TERT-BUTYLCYCLOHEXANONE P-tert-butylcyclohexanone 4-TERT-BUTYLCYCLOHEXANONE PARA TERTIARY BUTYL CYCLOHEXANONE |
| CAS | 98-53-3 |
| EINECS | 202-678-5 |
| InChI | InChI=1/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3 |
| InChIKey | YKFKEYKJGVSEIX-UHFFFAOYSA-N |
4-TERT-BUTYLCYCLOHEXANONE - Physico-chemical Properties
| Molecular Formula | C10H18O |
| Molar Mass | 154.25 |
| Density | 0.893 |
| Melting Point | 47-50 °C (lit.) |
| Boling Point | 113-116 °C/20 mmHg (lit.) |
| Flash Point | 205°F |
| Water Solubility | Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 7.91-14.2Pa at 20-25℃ |
| Appearance | White-like powder |
| Color | White to almost white |
| BRN | 507309 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4570 (estimate) |
| MDL | MFCD00001642 |
4-TERT-BUTYLCYCLOHEXANONE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | GW1140000 |
| TSCA | Yes |
| HS Code | 29142990 |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits were reported to be 5 g/kg |
4-TERT-BUTYLCYCLOHEXANONE - Reference Information
| LogP | 2.91 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | synthetic fragrance |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 5000 mg/kg |
| flammability hazard characteristics | thermal decomposition of spicy and irritating smoke |
| storage and transportation characteristics | low temperature dry ventilation |
| fire extinguishing agent | water, dry powder, carbon dioxide, foam |
Last Update：2024-04-10 22:29:15
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