Basic information
- Name:
Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, trans-
- Superlist Name:
- trans-4-Isopropylcyclohexane carboxylic acid
- CAS No.:
7077-05-6
- Molecular Structure:
- Formula:
- C10H18O2
- Molecular Weight:
- 170.25
- Synonyms:
- trans-4-Isopropylcyclohexane carboxylic acid;Cyclohexanecarboxylic acid, 4-isopropyl-, trans-;
- EINECS:
- 230-375-8
- Density:
- 0.996 g/cm3
- Melting Point:
- 95 °C
- Boiling Point:
- 263.8 °C at 760 mmHg
- Flash Point:
- 126.9 °C
- Solubility:
- Soluble in alcohol, chloroform and ethyl acetate, but insoluble in water.
- Appearance:
- White crystalline powder
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Specification
The CAS register number of trans-4-Isopropylcyclohexane carboxylic acid is 7077-05-6. It also can be called as Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, trans- and the systematic name about this chemical is trans-4-(1-methylethyl)cyclohexanecarboxylic acid. The molecular formula about this chemical is C10H18O2 and the molecular weight is 170.25. It belongs to the following product categories which include Chiral; Nateglinide; 4-Substituted Cyclohexanecarboxylic Acids and so on. This chemcial can be used as pharmaceutical intermediates to produce nateglinide(a kind of diabetes drugs).
Physical properties about trans-4-Isopropylcyclohexane carboxylic acid are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 35.87; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 303.65; (7)ACD/KOC (pH 7.4): 5.28; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3Å2; (12)Index of Refraction: 1.469; (13)Molar Refractivity: 47.64 cm3; (14)Molar Volume: 170.8 cm3; (15)Polarizability: 18.88x10-24cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Enthalpy of Vaporization: 55.23 kJ/mol; (18)Boiling Point: 263.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00294 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@@H]1CC[C@H](CC1)C(O)=O
(2)InChI: InChI=1/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-
(3)InChIKey: YRQKWRUZZCBSIG-KYZUINATBU
(4)Std. InChI: InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-
(5)Std. InChIKey: YRQKWRUZZCBSIG-KYZUINATSA-N