ChemicalBook--->CAS DataBase List--->5451-55-8

5451-55-8

5451-55-8 Structure

5451-55-8 Structure
IdentificationMore
[Name]

4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
[CAS]

5451-55-8
[Synonyms]

4-(1,1-DIMETHYLETHYL)CYCLOHEXANECARBOXYLIC ACID
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID, 99%, MIXTURE OF CIS AND TRANS
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID (CIS+TRANS)
4-tert-butylcyclohexanecarboxylic acid, predominantly trans
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID (CIS-AND TRANS-MIXTURE)
4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00042622
[Molecular Weight]

184.28
[MOL File]

5451-55-8.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE FINE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

148 °C (lit.)
[Boiling point ]

282.9±8.0 °C(Predicted)
[density ]

0.996±0.06 g/cm3(Predicted)
[storage temp. ]

Store below +30°C.
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.92±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

2043187
[CAS DataBase Reference]

5451-55-8(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

2916200090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Diethyl ether-->PETROLEUM ETHER-->Magnesium-->Carbon dioxide-->Phosphorus tribromide-->4-tert-Butylcyclohexanol
[Preparation Products]

4-TERT-BUTYLCYCLOHEXYLAMINE
Hazard InformationBack Directory
[Chemical Properties]

WHITE FINE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

4-tert-Butylcyclohexanecarboxylic acid may be used in the preparation of N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-henylpropyl)-4-tert-butylcyclohexanecarboxamide.
[Definition]

ChEBI:Trans-4-tert-butylcyclohexanecarboxylic acid is a monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer). It has a role as a metabolite. It derives from a hydride of a cyclohexane.
[General Description]

delta pKa between the two stereoisomers of 4-tert-butylcyclohexanecarboxylic acid has been studied using 1H and 13C NMR. Preparation of cis- and trans-4-tert- butylcyclohexanecarboxylic acid has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)MS
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)1HNMR
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)IR1
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)IR2
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%(5451-55-8)
[Sigma Aldrich]

5451-55-8(sigmaaldrich)
[TCI AMERICA]

4-tert-Butylcyclohexanecarboxylic Acid  (cis-and trans-mixture),>98.0%(GC)(T)(5451-55-8)
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