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6641-66-3

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Basic Information
CAS No.: 6641-66-3
Name: m-Toluylic acid, cyclohexyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 6641-66-3 (m-Toluylic acid, cyclohexyl ester)
Formula: C14H18O2
Molecular Weight: 218.296
Synonyms: m-Toluic acid, cyclohexyl ester(8CI);NSC 17926;Cyclohexyl 3-methylbenzoate;
Density: 1.05 g/cm3
Boiling Point: 320 °C at 760 mmHg
Flash Point: 143 °C
PSA: 26.30000
LogP: 3.48450
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Specification

The Benzoicacid, 3-methyl-, cyclohexyl ester, with the CAS registry number 6641-66-3, is also known as m-Toluic acid, cyclohexyl ester. This chemical's molecular formula is C14H18O2 and molecular weight is 218.29. What's more, its systematic name is Cyclohexyl 3-methylbenzoate.

Physical properties of Benzoicacid, 3-methyl-, cyclohexyl ester are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 63.58 cm3; (9)Molar Volume: 206.1 cm3; (10)Polarizability: 25.2×10-24 cm3; (11)Surface Tension: 39.3 dyne/cm; (12)Density: 1.05 g/cm3; (13)Flash Point: 143 °C; (14)Enthalpy of Vaporization: 56.16 kJ/mol; (15)Boiling Point: 320 °C at 760 mmHg; (16)Vapour Pressure: 0.000327 mmHg at 25°C.

Uses of Benzoicacid, 3-methyl-, cyclohexyl ester: it can be used to produce 3-methyl-benzoic acid by heating. It will need reagent MgI2 and solvent toluene with the reaction time of 2 days. The yield is about 78%.

Benzoicacid, 3-methyl-, cyclohexyl ester can be used to produce 3-methyl-benzoic acid by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)c2cccc(c2)C
(2)InChI: InChI=1/C14H18O2/c1-11-6-5-7-12(10-11)14(15)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3
(3)InChIKey: BDOUOWCUFMJLNR-UHFFFAOYSA-N