isopropyl cyclohexane
cyclohexane, (1-methylethyl)-
Identification
| Name | isopropyl cyclohexane |
| IUPAC | propan-2-ylcyclohexane |
| CAS Number | 696-29-7 |
| EINECS | 211-792-4 |
| FDA UNII | Search |
| Molecular Formula | C9 H18 |
| Molecular Weight | 126.24246000 |
| MDL Number | MFCD00001480 |
| Nikkaji Number | J43.397G |
| Beilstein | 1900472 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.80100 to 0.80600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.673 to 6.715 |
| Refractive Index | 1.43900 to 1.44400 @ 20.00 °C. |
| Boiling Point | 154.00 to 155.00 °C. @ 760.00 mm Hg, 151.00 to 152.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 4.800000 mmHg @ 25.00 °C. |
| Flash Point | 186.00 °F. TCC ( 85.60 °C. ) (est) |
| logP (o/w) | 4.246 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for isopropyl cyclohexane usage levels up to | not for fragrance use. |
| Recommendation for isopropyl cyclohexane flavor usage levels up to | not for flavor use. |
BOC Sciences
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Potential Uses
Natural Occurrence
Synonyms
cyclohexane, (1-methylethyl)-
cyclohexane, isopropyl-
hexahydrocumene
(1-
methylethyl)-cyclohexane
methylethyl)cyclohexane
(1-
methylethyl)cyclohexane
propan-2-ylcyclohexane
iso
propylcyclohexane
iso-
propylcyclohexane
PubMed:
Cyclohexyl "base pairs" stabilize duplexes and intensify pyrene fluorescence by shielding it from natural base pairs.
PubMed:
Molecular dynamics simulations of structure and dynamics of organic molecular crystals.
PubMed:
Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH].
PubMed:
Conformational Studies in the Cyclohexane Series. 1. Experimental and Computational Investigation of Methyl, Ethyl, Isopropyl, and tert-Butylcyclohexanes.
PubMed:
Metabolism of nephrotoxic isopropylcyclohexane in male Fischer 344 rats.