2-Ethyl-3-methoxybenzoic acid supplier

Name
2-Ethyl-3-methoxybenzoic acid
EINECS
CAS No. 57598-51-3
Density 1.134 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 292.5 °C at 760 mmHg
Molecular Weight 180.20
Flash Point 113.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethyl-3-methoxybenzoicacid;3-Methoxy-2-ethylbenzoic acid;
PSA 46.53000
LogP 1.95580

2-Ethyl-3-methoxybenzoic acid Specification

The systematic name of 2-Ethyl-3-methoxybenzoic acid is 2-ethyl-3-methoxybenzoic acid. With the CAS registry number 57598-51-3, it is also named as Benzoic acid,2-ethyl-3-methoxy-. The product's category is API Intermediates. In addition, its molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.20.

The other characteristics of 2-Ethyl-3-methoxybenzoic acid can be summarized as: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.76; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15.89; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.53 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 49.41 cm³; (13)Molar Volume: 158.7 cm³; (14)Polarizability: 19.58×10^-24cm³; (15)Surface Tension: 41.3 dyne/cm; (16)Density: 1.134 g/cm³; (17)Flash Point: 113.3 °C; (18)Enthalpy of Vaporization: 56.18 kJ/mol; (19)Boiling Point: 292.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000837 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COc1cccc(c1CC)C(O)=O
(2)InChI: InChI=1/C10H12O3/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
(3)InChIKey: RXCOEMMGBRUEEG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H12O3/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
(5)Std. InChIKey: RXCOEMMGBRUEEG-UHFFFAOYSA-N

Product Name

2-Ethyl-3-methoxybenzoic acid

2-Ethyl-3-methoxybenzoic acid Specification

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