Synthesis
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4-tert-Butylcyclohexanol

Synthesis
Product Name
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
Formula Weight
156.27
MOL File
98-52-2.mol
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4-tert-Butylcyclohexanol Property

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)
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Safety

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).
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

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

4-tert-Butylcyclohexanol Preparation Products And Raw materials

Raw materials

Preparation Products

4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID 4-tert-Butylcyclohexanone 1-ethynyl-4-tert-butyl-cyclohexan-1-ol
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4-tert-Butylcyclohexanol Suppliers

Americas 1 Australia 1 Belgium 3 Brazil 1 China 262 Czech Republic 1 Europe 1 France 3 Germany 11 India 17 Japan 6 Mexico 1 Slovakia 1 Spain 2 Switzerland 2 The Netherlands 2 United Kingdom 14 United States 57 USA 1 Global 387
Alchimica s.r.o
Tel
--
Fax
--
Email
nfo@alchimica.cz
Country
Czech Republic
ProdList
715
Advantage
58
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View Lastest Price from 4-tert-Butylcyclohexanol manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
4-tert-Butylcyclohexanol PTB 98-52-2
Price
US $120.00-65.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-04-26
Hebei Weibang Biotechnology Co., Ltd
Product
4-tert-Butylcyclohexanol 98-52-2
Price
US $1.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10 mt
Release date
2024-11-11
Hebei Chuanghai Biotechnology Co,.LTD
Product
4-tert-Butylcyclohexanol 98-52-2
Price
US $10.00/KG
Min. Order
1KG
Purity
99.%
Supply Ability
10 ton
Release date
2024-08-21

98-52-2, 4-tert-ButylcyclohexanolRelated Search:

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