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| | 4-tert-Butylcyclohexanol Basic information | | Synthesis |
| Product Name: | 4-tert-Butylcyclohexanol | | Synonyms: | 4-tert-butylcyclohexanol,mixtureofisomers;Cyclohexanol, 4-tert-butyl-;Padaryl;USAF do-20;usafdo-20;4-Tert-Butylcyclohexanol (Cis- And Trans- Mixture);P-TERTIARY BUTYL CYCLO HEXANOL;4-#ntert.-Butylcyclohexanol | | CAS: | 98-52-2 | | MF: | C10H20O | | MW: | 156.27 | | EINECS: | 202-676-4 | | Product Categories: | Alcohols;C9 to C30;Oxygen Compounds | | Mol File: | 98-52-2.mol |  |
| | 4-tert-Butylcyclohexanol Chemical Properties |
| Melting point | 62-70 °C(lit.) | | Boiling point | 110-115 °C15 mm Hg(lit.) | | density | 2.591 | | vapor pressure | 6-201.38Pa at 25-65℃ | | refractive index | 1.447 | | Fp | 221 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | Powder or Granules | | pka | 15.32±0.40(Predicted) | | color | White | | Odor | at 100.00 %. woody musty patchouli camphor mint leather | | Odor Type | woody | | Water Solubility | <1 g/L (20 ºC) | | BRN | 1902277 | | InChIKey | CCOQPGVQAWPUPE-UHFFFAOYSA-N | | LogP | 3.23 at 20℃ | | CAS DataBase Reference | 98-52-2(CAS DataBase Reference) | | NIST Chemistry Reference | Cyclohexanol, 4-(1,1-dimethylethyl)-(98-52-2) | | EPA Substance Registry System | Cyclohexanol, 4-(1,1-dimethylethyl)- (98-52-2) |
| Risk Statements | 23/25-33-50/53 | | Safety Statements | 24/25-61-60-45-28-20/21 | | RIDADR | 3256 | | WGK Germany | 1 | | RTECS | GV8750000 | | HS Code | 29061900 | | toxicity | The acute oral LD50 in rats was reported as 4-2 g/kg (3-62-4-87 g/kg)(Denine, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Denine, 1973). |
| | 4-tert-Butylcyclohexanol Usage And Synthesis |
| Synthesis | Phenol and isobutylene carry out tert-butylation reaction in the presence of aluminum trichloride, and catalytic hydrogenation with Rays Nickel W7, two kinds of geometric structures can be obtained, in which the trans structure accounts for more than 70%. | | Chemical Properties | white powder or granules | | Occurrence | Has apparently not been reported to occur in nature. | | Uses | 4-tert-Butylcyclohexanol (mixture of cis and trans) can be used as a reactant to synthesize tris(4,4′-di-tert-butyl-2,2′-bipyridine)(trans-4-tert-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium oxide cluster complex by reacting with [V8O20(C18H24N2)4]. It can also be used as a reactant in competitive Oppenauer oxidation experiments in the presence of zeolite BEA as a stereoselective catalyst. Only cis-isomer is selectively converted to the corresponding ketone, whereas trans-isomer remains unchanged. | | Preparation | From 4-terf-butylphenol by hydrogenation(Arctander, 1969). | | Synthesis Reference(s) | The Journal of Organic Chemistry, 45, p. 2724, 1980 DOI: 10.1021/jo01301a040
Synthesis, p. 171, 1977 DOI: 10.1055/s-1977-24307 |
| | 4-tert-Butylcyclohexanol Preparation Products And Raw materials |
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