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| CAS No.: | 848130-90-5 |
|---|---|
| Name: | 3-Hydroxy-5-methylphenyl benzoate |
| Molecular Structure: | |
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| Formula: | C14H12O3 |
| Molecular Weight: | 228.24 |
| Synonyms: | 1,3-Benzenediol,5-methyl-, monobenzoate (9CI); |
| Density: | 1.216 g/cm3 |
| Boiling Point: | 375.2 °C at 760 mmHg |
| Flash Point: | 160.4 °C |
| PSA: | 46.53000 |
| LogP: | 2.91980 |
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- Total:10 Page 1 of 1 1
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Specification
The 3-Hydroxy-5-methylphenyl benzoate, with the CAS registry number 848130-90-5, is also known as Benzoic acid 3-Hydroxy-5-methylphenyl ester. This chemical's molecular formula is C14H12O3 and molecular weight is 228.24. Its systematic name is called (3-hydroxy-5-methyl-phenyl) benzoate.
Physical properties of 3-Hydroxy-5-methylphenyl benzoate: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.48; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.605; (9)Molar Refractivity: 64.6 cm3; (10)Molar Volume: 187.5 cm3; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.216 g/cm3; (13)Flash Point: 160.4 °C; (14)Enthalpy of Vaporization: 64.72 kJ/mol; (15)Boiling Point: 375.2 °C at 760 mmHg; (16)Vapour Pressure: 3.65E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1)OC(=O)c2ccccc2)O
(2)InChI: InChI=1/C14H12O3/c1-10-7-12(15)9-13(8-10)17-14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
(3)InChIKey: HYLQICWQHBSZQZ-UHFFFAOYAF