| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13) | [InChIKey]
QVQKEGYITJBHRQ-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)CCC(C(C)(C)C)CC1 | [CAS DataBase Reference]
5451-55-8(CAS DataBase Reference) |
| Safety Data | Back 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 |
| Hazard Information | Back 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. |
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