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Methyl 5-methylsalicylate

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Methyl 5-methylsalicylate

EINECS 245-173-5
CAS No. 22717-57-3 Density 1.17 g/cm3
PSA 46.53000 LogP 1.48720
Solubility N/A Melting Point 2ºC
Formula C9H10O3 Boiling Point 242.4 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 98.5 °C
Transport Information N/A Appearance Clear slightly yellow liquid.
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22717-57-3 (Methyl 5-methylsalicylate) Hazard Symbols IrritantXi

2,5-Cresoticacid, methyl ester (6CI,7CI,8CI);2-Hydroxy-5-methylbenzoic acid methyl ester;Methyl 2-hydroxy-5-methylbenzoate;NSC 165635;

Article Data 36

Methyl 5-methylsalicylate Specification

The Benzoic acid,2-hydroxy-5-methyl-, methyl ester, with the CAS registry number 22717-57-3, is also known as 2,5-Cresotic acid, methyl ester. It belongs to the product categories of Aromatic Esters; Esters; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. Its EINECS registry number is 245-173-5. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. Its IUPAC name is called methyl 2-hydroxy-5-methylbenzoate. This chemical is clear slightly yellow liquid. It should be stored closely into the inside of storage and stored in a cool, dry place. 

Physical properties of Benzoic acid,2-hydroxy-5-methyl-, methyl ester: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.73; (6)ACD/BCF (pH 7.4): 65.58; (7)ACD/KOC (pH 5.5): 696.21; (8)ACD/KOC (pH 7.4): 694.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 44.73 cm3; (14)Molar Volume: 142 cm3; (15)Surface Tension: 43.5 dyne/cm; (16)Density: 1.169 g/cm3; (17)Flash Point: 98.5 °C; (18)Enthalpy of Vaporization: 49.88 kJ/mol; (19)Boiling Point: 242.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0219 mmHg at 25°C.

Uses of Benzoic acid,2-hydroxy-5-methyl-, methyl ester: it can be used to produce Methyl-2-hydroxy-5-methyl-3-nitro-benzoat at temperature of -20 °C. This reaction will need reagent HNO3, H2SO4. The yield is about 24%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

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

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