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CAS No.: | 20029-52-1 |
---|---|
Name: | 4-CYCLOHEXYLBENZOIC ACID |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C13H16O2 |
Molecular Weight: | 204.269 |
Synonyms: | Benzoicacid, p-cyclohexyl- (6CI,7CI,8CI);4-Cyclohexylbenzoic acid;4-Cyclohexylphenylcarboxylic acid;Methyl 4-cyclohexylbenzoate;NSC 126462;p-Cyclohexylbenzoic acid; |
EINECS: | 243-472-5 |
Density: | 1.115 g/cm3 |
Melting Point: | 200 °C |
Boiling Point: | 351.1 °C at 760 mmHg |
Flash Point: | 163.9 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 3.43250 |
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The Benzoic acid,4-cyclohexyl- is an organic compound with the formula C13H16O2. The IUPAC name of this chemical is 4-Cyclohexylbenzoic acid. With the CAS registry number 20029-52-1, it is also named as 4-Cyclohexyl-benzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about Benzoic acid,4-cyclohexyl- are: (1)ACD/LogP: 4.41; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 89.39; (5)ACD/BCF (pH 7.4): 2.14; (6)ACD/KOC (pH 5.5): 402.56; (7)ACD/KOC (pH 7.4): 9.62; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 59.04 cm3; (14)Molar Volume: 183.1 cm3; (15)Polarizability: 23.4×10-24 cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.115 g/cm3; (18)Flash Point: 163.9 °C; (19)Enthalpy of Vaporization: 62.87 kJ/mol; (20)Boiling Point: 351.1 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-05 mmHg at 25 °C.
Uses of Benzoic acid,4-cyclohexyl-: it can be used to produce 4-Cyclohexylbenzoic acid methyl ester at temperature of 5 - 20 °C. It will need reagent conc. H2SO4 with reaction time of 15 hours. The yield is about 97%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)C2CCCCC2
(2)InChI: InChI=1/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
(3)InChIKey: QCIWHVKGVVQHIY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
(5)Std. InChIKey: QCIWHVKGVVQHIY-UHFFFAOYSA-N