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2-Methoxy-5-methylbenzoic acid

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Name

2-Methoxy-5-methylbenzoic acid

EINECS N/A
CAS No. 25045-36-7 Density 1.168 g/cm3
PSA 46.53000 LogP 1.70180
Solubility N/A Melting Point 68-72 °C(lit.)
Formula C9H10O3 Boiling Point 295.54 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 119.213 °C
Transport Information N/A Appearance WHITE TO OFF-WHITE POWDER OR CRYSTALS
Safety Risk Codes 22
Molecular Structure Molecular Structure of 25045-36-7 (2-METHOXY-5-METHYLBENZOIC ACID) Hazard Symbols HarmfulXn
Synonyms

o-Anisicacid, 5-methyl- (6CI,7CI,8CI);2-Methoxy-5-methylbenzoic acid;5-Methyl-2-methoxybenzoic acid;

Article Data 10

2-Methoxy-5-methylbenzoic acid 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

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