ChemicalBook >> CAS DataBase List >>4-tert-Butylcyclohexanol

4-tert-Butylcyclohexanol

CAS No.
98-52-2
Chemical Name:
4-tert-Butylcyclohexanol
Synonyms
PATCHONE;Cyclohexanol, 4-(1,1-dimethylethyl)-;4-T-BUTYLCYCLOHEXANOL;Padaryl;usafdo-20;USAF do-20;PTB-Cyclohexanol;patchouli hexanol;4-tert-Butylcyclohex;P-T-BUTYLCYCLOHEXANOL
CBNumber:
CB0105660
Molecular Formula:
C10H20O
Molecular Weight:
156.27
MDL Number:
MFCD00001473
MOL File:
98-52-2.mol
MSDS File:
SDS
Last updated:2023-08-25 18:43:21

4-tert-Butylcyclohexanol 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)
EWG's Food Scores 1
FDA UNII K0H1405S9C
NIST Chemistry Reference Cyclohexanol, 4-(1,1-dimethylethyl)-(98-52-2)
EPA Substance Registry System Cyclohexanol, 4-(1,1-dimethylethyl)- (98-52-2)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
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).
NFPA 704
1
1 0

4-tert-Butylcyclohexanol price More Price(30)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich B92001 4-tert-Butylcyclohexanol, mixture of cis and trans 98% 98-52-2 100g $83 2023-01-07 Buy
TCI Chemical B0383 4-tert-Butylcyclohexanol (cis- and trans- mixture) >98.0%(GC) 98-52-2 25g $34 2024-03-01 Buy
TCI Chemical B0383 4-tert-Butylcyclohexanol (cis- and trans- mixture) >98.0%(GC) 98-52-2 500g $142 2024-03-01 Buy
TRC D118005 4-(1,1-Dimethylethyl)cyclohexanol 98-52-2 50g $55 2021-12-16 Buy
Biosynth Carbosynth FB14746 4-tert-Butylcyclohexanol, mixture of?cis?and?trans 98-52-2 100g $60 2021-12-16 Buy
Product number Packaging Price Buy
B92001 100g $83 Buy
B0383 25g $34 Buy
B0383 500g $142 Buy
D118005 50g $55 Buy
FB14746 100g $60 Buy

4-tert-Butylcyclohexanol Chemical Properties,Uses,Production

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

98-54-4
98-52-2
Synthesis of 4-tert-Butylcyclohexanol from 4-tert-Butylphenol
Global( 372)Suppliers
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View Lastest Price from 4-tert-Butylcyclohexanol manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-tert-Butylcyclohexanol pictures 2023-08-26 4-tert-Butylcyclohexanol
98-52-2
US $0.00 / KG 1KG 99% 50000KG/month Hebei Mojin Biotechnology Co., Ltd
4-tert-Butylcyclohexanol pictures 2023-07-22 4-tert-Butylcyclohexanol
98-52-2
US $10.00 / KG 1KG 99.% 10 ton Hebei Guanlang Biotechnology Co,.LTD
4-(tert-Butyl)cyclohexanol pictures 2023-02-13 4-(tert-Butyl)cyclohexanol
98-52-2
US $80.00 / kg 1kg 99% 100MT Hebei baicao biology science and technology co., ltd
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 4-TERT-BUTYLCYCLOHEXANOL, 99%, MIXTURE O F ISOMERS 4-TERT-BUTYLCYCLOHEXANOL (CIS+TRANS) 4-(1,4-DIMETHYLETHYL)CYCLOHEXANOL(CIS+TRANS) 4-TERT-BUTYLCYCLOHEXANOL(MIXTURE OF ISOMERS):BUTYLCYCLOHEXANOL YLANAT-ALKOHOL 27 P. CIS 4-TERT-BUTYLCYCLOHEXANOL (MIXTURE OS ISOMERS) 4-tert-Butylcyclohexanol, mixture of cis and trans 4-tert-Butylcyclohecanol 4-tert-Butylcyclohex 4-TERT-BUTYLCYCLOHEXANOL (MIXTURE OF CIS tert-Butylcyclohexanol, Mixture of cis an PTB-Cyclohexanol 4-TERT-BUTYLCYCLOHEXANOL 4-(1,1-dimethylethyl)-cyclohexano 4-(1,1-dimethylethyl)-Cyclohexanol HEXAHYDRO-P-TERT-BUTYLPHENOL PARA TERTIARY BUTYL CYCLOHEXANOL P-T-BUTYLCYCLOHEXANOL P-TERT-BUTYL CYCLOHEXANOL 4-tert-butyl-cyclohexano 4-tert-Butylcyclohexanol,c&t 4-tert-Butylcyclohexanol, 99%, mixture of cis and trans p-t-Butylcyclohexanol (mixture of isomers) 4-tert-Butylcyclohexanol (cis- and trans- mixture)> 4-tert-Butylcyclohexanol USP/EP/BP patchouli hexanol Cyclohexanol, 4-(1,1-dimethylethyl)- 4-T-BUTYLCYCLOHEXANOL PATCHONE 98-52-2 85-52-2 C10H20N C9 to C30 Alcohols Oxygen Compounds Organic Building Blocks Building Blocks Alcohols C9 to C30 Oxygen Compounds