3-Hydroxy-5-methyl-benzoic acid methyl ester supplier

Name
3-Hydroxy-5-methyl-benzoic acid methyl ester
EINECS
CAS No. 2615-71-6
Article Data10
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 96-97 °C
Formula C₉H₁₀O₃
Boiling Point 303.562 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 133.881 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-hydroxy-5-methylbenzoate;
PSA 46.53000
LogP 1.48720

3-Hydroxy-5-methyl-benzoic acid methyl ester Specification

The CAS registry number of 3-Hydroxy-5-methyl-benzoic acid methyl ester is 2615-71-6. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.1739. What's more, its systematic name is called Methyl 3-hydroxy-5-methylbenzoate.

Physical properties about 3-Hydroxy-5-methyl-benzoic acid methyl ester are: (1)ACD/LogP: 2.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 452; (8)ACD/KOC (pH 7.4): 446; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53Å² ; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.733 cm³; (15)Molar Volume: 142.031 cm³; (16)Polarizability: 17.733×10^-24cm³; (17)Surface Tension: 43.51 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 133.881 °C; (20)Enthalpy of Vaporization: 56.559 kJ/mol; (21)Boiling Point: 303.562 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(cc(O)c1)C(=O)OC
(2) InChI: InChI=1/C₉H₁₀O₃/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5,10H,1-2H₃
(3) InChIKey: PBUWDSBWYMQASI-UHFFFAOYAR

Product Name

3-Hydroxy-5-methyl-benzoic acid methyl ester

3-Hydroxy-5-methyl-benzoic acid methyl ester Specification

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