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| CAS No.: | 1517-63-1 |
|---|---|
| Name: | 4-Methylbenzhydrol |
| Article Data: | 282 |
| Molecular Structure: | |
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| Formula: | C14H14O |
| Molecular Weight: | 198.265 |
| Synonyms: | Benzhydrol,4-methyl- (6CI,7CI,8CI);1-(4-Methylphenyl)-1-phenylmethanol;4-Methyl-a-phenylbenzenemethanol;4-Methylphenyl(phenyl)methanol;Phenyl(4-tolyl)methanol;Phenyl-p-tolylmethanol;p-Methylbenzhydrol;a-(4-Methylphenyl)benzenemethanol;a-(4-Methylphenyl)phenylmethanol; |
| EINECS: | 216-171-1 |
| Density: | 1.081 g/cm3 |
| Melting Point: | 50-54 °C(lit.) |
| Boiling Point: | 334.925 °C at 760 mmHg |
| Flash Point: | 145.378 °C |
| Appearance: | white to off-white powder |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 3.07670 |
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Specification
The CAS registry number of 4-Methylbenzhydrol is 1517-63-1. Its EINECS registry number is 216-171-1. The IUPAC name is (4-methylphenyl)-phenylmethanol. In addition, the molecular formula is C14H14O and the molecular weight is 198.26. It is also called Benzenemethanol,4-methyl-a-phenyl-. What's more, it is a kind of white to off-white powder and belongs to the class of Benzhydrols, Benzyl & Special Alcohols. It should be stored in sealed container, and placed in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 3.2; (4)ACD/BCF (pH 5.5): 159.57; (5)ACD/BCF (pH 7.4): 159.57; (6)ACD/KOC (pH 5.5): 1313.67; (7)ACD/KOC (pH 7.4): 1313.67; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 61.92 cm3; (14)Molar Volume: 183.3 cm3; (15)Polarizability: 24.55 ×10-24cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.081 g/cm3; (18)Flash Point: 145.4 °C; (19)Enthalpy of Vaporization: 61 kJ/mol; (20)Boiling Point: 334.9 °C at 760 mmHg; (21)Vapour Pressure: 4.89E-05 mmHg at 25°C.
Uses of 4-Methylbenzhydrol: it can be used to get bis-(4-methyl-benzhydryl)-ether. This reaction will need reagent p-toluenesulphonic acid (TsOH) and solvent solid. The reaction time is 10 minutes at reaction temperature of 15 °C. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)c2ccc(cc2)C
(2)InChI: InChI=1/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
(3)InChIKey: IHASOVONMUHDND-UHFFFAOYAS