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CAS No.: | 73505-48-3 |
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Name: | METHYL-5-METHOXY-2-METHYLBENZOATE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | 5,2-Cresoticacid, methyl ester (6CI);5-Hydroxy-2-methylbenzoic acid methyl ester;Methyl3-hydroxy-6-methylbenzoate;Methyl 5-hydroxy-2-methylbenzoate;methyl 5-hydroxy-2-methylbenzoate;benzoic acid, 5-hydroxy-2-methyl-, methyl ester; |
Density: | 1.17 g/cm3 |
Melting Point: | 75-76 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4)) |
Boiling Point: | 287.856 °C at 760 mmHg |
Flash Point: | 124.994 °C |
PSA: | 46.53000 |
LogP: | 1.48720 |
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The Benzoicacid, 5-hydroxy-2-methyl-, methyl ester, with the CAS registry number 73505-48-3, has the systematic name and IUPAC name of methyl 5-hydroxy-2-methylbenzoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H10O3.
The characteristics of Benzoicacid, 5-hydroxy-2-methyl-, methyl ester are as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 452; (8)ACD/KOC (pH 7.4): 448; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.733 cm3; (15)Molar Volume: 142.031 cm3; (16)Polarizability: 17.733×10-24cm3; (17)Surface Tension: 43.51 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 124.994 °C; (20)Enthalpy of Vaporization: 54.819 kJ/mol; (21)Boiling Point: 287.856 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(O)cc1C(=O)OC
(2)InChI: InChI=1/C9H10O3/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5,10H,1-2H3
(3)InChIKey: XRTIUIMAICRVLI-UHFFFAOYAN