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| CAS No.: | 23287-26-5 |
|---|---|
| Name: | METHYL 2-HYDROXY-3-METHYLBENZOATE |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 2,3-Cresoticacid, methyl ester (6CI,7CI,8CI);2-Hydroxy-3-methylbenzoic acid methyl ester;Levegal PT;Methyl 2-hydroxy-3-methylbenzoate;Methyl 3-methylsalicylate;Methyl o-cresotinate;NSC 165638; |
| EINECS: | 245-557-2 |
| Density: | 1.169 g/cm3 |
| Melting Point: | 28-30 °C |
| Boiling Point: | 237.3 °C at 760 mmHg |
| Flash Point: | 95.5 °C |
| Solubility: | Soluble in ethanol, fixed Oils, Propylene Glycol. Insoluble in water. |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 46.53000 |
| LogP: | 1.48720 |
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Specification
The Methyl 2-hydroxy-3-methylbenzoate, with the CAS registry number 23287-26-5, is also known as 2,3-Cresotic acid, methyl ester; and 2-Hydroxy-3-methyl-benzoicacimethylester. It belongs to the product categories of Intermediates of Dyes and Pigments; Aromatic Esters. Its EINECS registry number is 245-557-2. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-hydroxy-3-methylbenzoate.
Physical properties about this chemical are: (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): 65.6; (7) ACD/KOC (pH 5.5): 696.22; (8) ACD/KOC (pH 7.4): 694.86; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 35.53 Å2; (13) Index of Refraction: 1.542; (14) Molar Refractivity: 44.73 cm3; (15) Molar Volume: 142 cm3; (16) Surface Tension: 43.5 dyne/cm; (17) Density: 1.169 g/cm3; (18) Flash Point: 95.5 °C; (19) Enthalpy of Vaporization: 49.34 kJ/mol; (20) Boiling Point: 237.3 °C at 760 mmHg; (21) Vapour Pressure: 0.0294 mmHg at 25 °C;(22) Melting Point: 28-30 °C.
Preparation of Methyl 2-hydroxy-3-methylbenzoate: this chemical is prepared by reaction of Methanol with 2-Hydroxy-3-methyl-benzoic acid.
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This reaction occers with reagent H2SO4 at temperature of 70 °C.
Uses of Methyl 2-hydroxy-3-methylbenzoate: it is used to produce other chemicals. For example, it is used to produce 2-(2-Hydroxy-3-methyl-phenyl)-propan-2-ol.
The reaction occurs with reagent Tetrahydrofuran. The yield is 62 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1=CC=CC(=C1O)C(=O)OC
(2) InChI: InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3
(3) InChIKey: SUHLUMKZPUMAFP-UHFFFAOYSA-N
The toxicity data is as follows:
