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CAS No.: | 3685-26-5 |
---|---|
Name: | TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C7H12O3 |
Molecular Weight: | 144.17 |
Synonyms: | trans-4-Hydroxycyclohexanecarboxylicacid;4-hydroxycyclohexanecarboxylic acid;4-Hydroxycyclohexane carboxylic acid;4-Hydroxycyclohexane-1-carboxylic acid;4-hydroxycyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-hydroxy-; |
Density: | 1.246 g/cm3 |
Melting Point: | 145°C |
Boiling Point: | 307.9 °C at 760 mmHg |
Flash Point: | 154.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 57.53000 |
LogP: | 0.62210 |
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The Cyclohexanecarboxylicacid, 4-hydroxy-, trans-, with the CAS registry number 3685-26-5, has the systematic name of 4-hydroxycyclohexanecarboxylic acid. It belongs to the following product categories: Chiral; 4-Substituted Cyclohexanecarboxylic Acids; Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Functional Materials. And the molecular formula of the chemical is C7H12O3.
The characteristics of Cyclohexanecarboxylicacid, 4-hydroxy-, trans- are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 35.36 cm3; (15)Molar Volume: 115.6 cm3; (16)Polarizability: 14.02×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 6.47E-05 mmHg at 25°C.
Uses of Cyclohexanecarboxylicacid, 4-hydroxy-, trans-: It can react with diazomethane to produce Methoxycarbonyl-4-cyclohexanol. This reaction will need reagent diethyl ether. The reaction temperature of 25°C, and the yield is about 91.1%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCC(O)CC1
(2)InChI: InChI=1/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
(3)InChIKey: HCFRWBBJISAZNK-UHFFFAOYAF