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25045-36-7

Basic Information
CAS No.: 25045-36-7
Name: 2-METHOXY-5-METHYLBENZOIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 25045-36-7 (2-METHOXY-5-METHYLBENZOIC ACID)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: o-Anisicacid, 5-methyl- (6CI,7CI,8CI);2-Methoxy-5-methylbenzoic acid;5-Methyl-2-methoxybenzoic acid;
Density: 1.168 g/cm3
Melting Point: 68-72 °C(lit.)
Boiling Point: 295.54 °C at 760 mmHg
Flash Point: 119.213 °C
Appearance: WHITE TO OFF-WHITE POWDER OR CRYSTALS
Hazard Symbols: HarmfulXn
Risk Codes: 22
PSA: 46.53000
LogP: 1.70180
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    2-METHOXY-7-METHYLBENZOIC ACID

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Specification

The Benzoic acid,2-methoxy-5-methyl-, with the CAS registry number 25045-36-7, is also known as 2-Methoxy-5-methylbenxoic acid. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C9H10O3 and molecular weight is 166.1739. Its IUPAC name is called 2-methoxy-5-methylbenzoic acid. 

Physical properties of Benzoic acid,2-methoxy-5-methyl-: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 44.68 cm3; (13)Molar Volume: 142.2 cm3; (14)Surface Tension: 42.7 dyne/cm; (15)Density: 1.168 g/cm3; (16)Flash Point: 119.2 °C; (17)Enthalpy of Vaporization: 56.53 kJ/mol; (18)Boiling Point: 295.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000686 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)OC)C(=O)O
(2)InChI: InChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: QEFQGRZFYWPDSU-UHFFFAOYSA-N