Benzoicacid, 4-methoxy-3-methyl-, methyl ester supplier

Name
METHYL 4-METHOXY-3-METHYLBENZOATE
EINECS
CAS No. 70347-04-5
Article Data7
CAS DataBase
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 107.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Anisicacid, 3-methyl-, methyl ester (7CI);Methyl 4-methoxy-3-methylbenzoate;
PSA 35.53000
LogP 1.79020

Benzoicacid, 4-methoxy-3-methyl-, methyl ester Specification

The Benzoicacid, 4-methoxy-3-methyl-, methyl ester is an organic compound with the formula C₁₀H₁₂O₃. Its CAS registry number is 70347-04-5. The IUPAC name of this chemical is Methyl 4-methoxy-3-methylbenzoate. In addition, the molecular weight is 180.2. It belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates.

Physical properties about Benzoicacid, 4-methoxy-3-methyl-, methyl ester are: (1)ACD/LogP: 2.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.96; (6)ACD/BCF (pH 7.4): 69.96; (7)ACD/KOC (pH 5.5): 728.05; (8)ACD/KOC (pH 7.4): 728.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 49.52 cm³; (15)Molar Volume: 167.6 cm³; (16)Polarizability: 19.63×10^-24 cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.075 g/cm³; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 50.76 kJ/mol; (21)Boiling Point: 269.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00723 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1OC)C(=O)OC
(2) InChI: InChI=1/C10H12O3/c1-7-6-8(10(11)13-3)4-5-9(7)12-2/h4-6H,1-3H3
(3) InChIKey: NRJGLTXKVDHVPG-UHFFFAOYAM

Product Name

METHYL 4-METHOXY-3-METHYLBENZOATE

Benzoicacid, 4-methoxy-3-methyl-, methyl ester Specification

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