4-tert-Butylcyclohexanol
4-tert-Butylcyclohexanol
  • CAS No.:98-52-2
Other grades of this product :
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
pka15.32±0.40(Predicted)
color White
Water Solubility <1 g/L (20 ºC)
BRN 1902277
InChIKeyCCOQPGVQAWPUPE-UHFFFAOYSA-N
LogP3.23 at 20℃
CAS DataBase Reference98-52-2(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexanol, 4-(1,1-dimethylethyl)-(98-52-2)
EPA Substance Registry SystemCyclohexanol, 4-(1,1-dimethylethyl)- (98-52-2)
Safety Information
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
toxicityThe 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).
MSDS Information
ProviderLanguage
4-tert-Butylcyclohexanol English
SigmaAldrich English
ACROS English
4-tert-Butylcyclohexanol Usage And Synthesis
SynthesisPhenol 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 Propertieswhite powder or granules
OccurrenceHas apparently not been reported to occur in nature.
Uses4-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.
PreparationFrom 4-terf-butylphenol by hydrogenation(Arctander, 1969).
Synthesis Reference(s)The Journal of Organic Chemistry, 45, p. 2724, 1980 DOI: 10.1021/jo01301a040Synthesis, p. 171, 1977 DOI: 10.1055/s-1977-24307

Welcome!

Please leave a message for us or use the following ways to contact us, we will reply to you as soon as possible, and provide you with the most sincere service, thank you.

  • NO. 18 ,Wujiang Road, Wulidian Street, Jiangbei District, Chongqing
  • +86-23-6139-8061 +86-13650506873
  • danny@chemdad.com sales@chemdad.com
  • www.chemdad.com
  • WhatsApp +86-13650506873

Name

phone

company

email

message

Google translate: 日本语 한국어 Français Deutsch España Türkiye