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34265-58-2

Basic Information
CAS No.: 34265-58-2
Name: Ethyl 2-Hydroxy-5-Methylbenzoate
Article Data: 14
Molecular Structure:
Molecular Structure of 34265-58-2 (Ethyl 2-Hydroxy-5-Methylbenzoate)
Formula: C10H12O3
Molecular Weight: 180.203
Synonyms: 2,5-Cresoticacid, ethyl ester (7CI,8CI);2-Hydroxy-5-methylbenzoic acid ethyl ester;5-Methylsalicylic acid ethyl ester;Ethyl 2-hydroxy-5-methylbenzoate;Ethyl5-methylsalicylate;Ethyl 6-hydroxy-3-methylbenzoate;
EINECS: 251-903-3
Density: 1.136 g/cm3
Melting Point: 2℃
Boiling Point: 259.9 °C at 760 mmHg
Flash Point: 104.9 °C
Hazard Symbols: HarmfulXn
Risk Codes: 10-20/21/22-36/37/38
Safety: 16-26-36
Transport Information: UN 3272
PSA: 46.53000
LogP: 1.87730
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  • ETHYL 2-HYDROXY-5-METHYLBENZOATE CAS No.34265-58-2

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Specification

The Benzoic acid, 2-hydroxy-5-methyl-, ethyl ester, with the CAS registry number of 34265-58-2, is also known as Ethyl 5-methylsalicylate. It belongs to the product category of Aromatic Esters. Its EINECS registry number is 251-903-3. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. What's more, its IUPAC name is Ethyl 2-hydroxy-5-methylbenzoate.

Physical properties about Benzoic acid, 2-hydroxy-5-methyl-, ethyl ester are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 166.56; (6)ACD/BCF (pH 7.4): 166.31; (7)ACD/KOC (pH 5.5): 1354.57; (8)ACD/KOC (pH 7.4): 1352.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 49.36 cm3; (15)Molar Volume: 158.5 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.136 g/cm3; (18)Flash Point: 104.9 °C; (19)Enthalpy of Vaporization: 51.77 kJ/mol; (20)Boiling Point: 259.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00778 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Chloro-6-methyl-3-oxo-hept-6-enoic acid ethyl ester at ambient temperature. This reaction needs reagents Mn(OAc)3•2H2O and Cu(OAc)2•H2O. Meanwhile, it needs solvent Acetic acid. The reaction time is 48 hours. The yield is about 47 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Hydroxy-5-methyl-3-nitro-benzoic acid ethyl ester. This reaction needs reagents conc. HNO3 and conc. H2SO4. The reaction temperature is -20 °C. The yield is about 70 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(ccc1O)C
(2) InChI: InChI=1/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H3
(3) InChIKey: ZGYXABNSOOACGL-UHFFFAOYAS