Benzoicacid, 5-hydroxy-2-methyl-, methyl ester supplier

Name
METHYL-5-METHOXY-2-METHYLBENZOATE
EINECS
CAS No. 73505-48-3
Article Data33
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 75-76 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
Formula C₉H₁₀O₃
Boiling Point 287.856 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 124.994 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 46.53000
LogP 1.48720

Benzoicacid, 5-hydroxy-2-methyl-, methyl ester Specification

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

Product Name

METHYL-5-METHOXY-2-METHYLBENZOATE

Benzoicacid, 5-hydroxy-2-methyl-, methyl ester Specification

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