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5472-13-9

Basic Information
CAS No.: 5472-13-9
Name: 2-Methylbenzhydrol
Article Data: 166
Molecular Structure:
Molecular Structure of 5472-13-9 (2-Methylbenzhydrol)
Formula: C14H14O
Molecular Weight: 198.265
Synonyms: Benzhydrol,2-methyl- (6CI,7CI,8CI);(2-Methylphenyl)phenylmethanol;2-Methylbenzhydrol;NSC 27910;Phenyl(2-tolyl)methanol;o-Methylbenzhydrol;a-(2-Methylphenyl)benzenemethanol;a-(2-Methylphenyl)benzyl alcohol;
EINECS: 226-810-6
Density: 1.081 g/cm3
Melting Point: 93-95 ºC
Boiling Point: 323 °C at 760 mmHg
Flash Point: 145.8 °C
Appearance: almost white adhering powder
Safety: 24/25
PSA: 20.23000
LogP: 3.07670
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    Located in Jinan Hi-tech Development Park, Jinan Great Chemical Co.,Ltd. is a hi-tech enterprise of Shandong province. At present, Guruite is a large-scale hi-tech enterprise focus

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  • Orphenadrine EP Impurity A (2-Methylbenzhydrol)

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    5472-13-9

    Orphenadrine EP Impurity A (2-Methylbenzhydrol)

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    Topbatt Chemical Co., Ltd., Established in 2019, located in Shenzhen, Guangdong Province, is a Manufacturer and Trading company which specialized in fine chemicals like Pharmaceutical Reference Standards and Stable Isotopes. Our Stable Isotopes produ

    Topbatt Chemical Co. Ltd., Established in 2019, located in Shenzhen, Guangdong Province, is a Manufacturer and Trading company which specialized in fine chemicals like Pharmaceutic

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  • Orphenadrine EP Impurity A (2-Methylbenzhydrol)

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    Orphenadrine EP Impurity A (2-Methylbenzhydrol)

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    1. Our staff are all biomedical related majors with rich experience in the pharmaceutical industry, and can provide you with more professional services.2. Our supplier has a good quality management system, and the quality of products is reliable and

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  • α-o-tolylbenzyl alcohol

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    5472-13-9

    α-o-tolylbenzyl alcohol

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    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

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  • Benzenemethanol,2-methyl-a-phenyl-

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    5472-13-9

    Benzenemethanol,2-methyl-a-phenyl-

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    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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Specification

The IUPAC name of 2-Methylbenzhydrol is (2-methylphenyl)-phenylmethanol. With the CAS registry number 5472-13-9, it is also named as Benzenemethanol, 2-methyl-alpha-phenyl. The other registry number is 127309-00-6. It is almost white adhering powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.59; (7)Molar Refractivity: 61.92 cm3; (8)Molar Volume: 183.3 cm3; (9)Polarizability: 24.55×10-24 cm3; (10)Surface Tension: 43.6 dyne/cm; (11)Flash Point: 145.8 °C; (12)Enthalpy of Vaporization: 59.63 kJ/mol; (13)Boiling Point: 323 °C at 760 mmHg; (14)Vapour Pressure: 0.000111 mmHg at 25°C; (15)Rotatable Bond Count: 2; (16)Exact Mass: 198.104465; (17)MonoIsotopic Mass: 198.104465; (18)Topological Polar Surface Area: 20.2; (19)Heavy Atom Count: 15; (20)Complexity: 184.

Preparation of 2-Methylbenzhydrol: It can be obtained by benzaldehyde and o-tolylmagnesium bromide. This reaction needs reagent solvent diethyl ether. The yield is 66 %.

Uses of 2-Methylbenzhydrol: It can react with prop-2-en-1-ol to get 1-methyl-2-[phenyl(2-propenyloxy)methyl]benzene. This reaction needs reagent p-toluenesulfonic acid monohydrate and solvent benzene by heating. The reaction time is 16 hours. The yield is 81.3 %. 

People can use the following data to convert to the molecule structure. 
1. SMILES:Cc2ccccc2C(O)c1ccccc1
2. InChI:InChI=1/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3