4-tert-Butylcyclohexanol, mixture of cis and trans , 98% , 98-52-2

CAS NO.：98-52-2

Empirical Formula: C10H20O

Molecular Weight: 156.27

MDL number: MFCD00001473

EINECS: 202-676-4

PRODUCT 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
• Flash point: 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)

Description and 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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H319
• Precautionary statements: P264-P280-P305+P351+P338-P337+P313P
• 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).