4-Methoxy-2-methylbenzoic acid supplier

Name
4-Methoxy-2-methylbenzoic acid
EINECS
CAS No. 6245-57-4
Article Data34
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point 177-181 °C(lit. )
Formula C₉H₁₀O₃
Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 118.6 °C
Transport Information
Appearance white to slightly cream crystalline powder
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms RARECHEM AL BE 0867;
PSA 46.53000
LogP 1.70180

4-Methoxy-2-methylbenzoic acid Specification

The 4-Methoxy-2-methylbenzoic acid, with the CAS registry number of 6245-57-4, is also known as RARECHEM AL BE 0867. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.17. In addition, it should be stored in dry, cool, airtight place.

Physical properties about 4-Methoxy-2-methylbenzoic acid are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 2.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 44.68 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 17.71×10^-24 cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 118.6 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000741 mmHg at 25 °C; (23)Melting Point: 177-181 °C(lit. ).

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(cc(OC)cc1)C
(2) InChI: InChI=1/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3) InChIKey: MSVRGYOYISBGTH-UHFFFAOYAI

Product Name

4-Methoxy-2-methylbenzoic acid

4-Methoxy-2-methylbenzoic acid Specification

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