Benzoicacid, 3-methoxy-2-methyl-, methyl ester supplier

Name
Methyl 3-methoxy-2-methylbenzoate
EINECS
CAS No. 42981-93-1
Article Data15
CAS DataBase
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 247.243 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 96.967 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Anisic acid, 2-methyl-, methyl ester (6CI);Methyl 3-methoxy-2-methylbenzoate;
PSA 35.53000
LogP 1.79020

Benzoicacid, 3-methoxy-2-methyl-, methyl ester Specification

The Benzoicacid, 3-methoxy-2-methyl-, methyl ester, with the CAS registry number 42981-93-1, is also known as m-Anisic acid, 2-methyl-, methyl ester (6CI). This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.20. What's more, its systematic name is Methyl 3-methoxy-2-methylbenzoate.

Physical properties of Benzoicacid, 3-methoxy-2-methyl-, methyl ester are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 50; (6)ACD/BCF (pH 7.4): 50; (7)ACD/KOC (pH 5.5): 576; (8)ACD/KOC (pH 7.4): 576; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 49.529 cm³; (15)Molar Volume: 167.604 cm³; (16)Polarizability: 19.635×10^-24cm³; (17)Surface Tension: 34.581 dyne/cm; (18)Density: 1.075 g/cm³; (19)Flash Point: 96.967 °C; (20)Enthalpy of Vaporization: 48.439 kJ/mol; (21)Boiling Point: 247.243 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cccc1OC)C(=O)OC
(2)InChI: InChI=1/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3
(3)InChIKey: VVQORCPXLODREB-UHFFFAOYSA-N

Product Name

Methyl 3-methoxy-2-methylbenzoate

Benzoicacid, 3-methoxy-2-methyl-, methyl ester Specification

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