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| CAS No.: | 22717-57-3 |
|---|---|
| Name: | Methyl 5-methylsalicylate |
| Article Data: | 36 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 2,5-Cresoticacid, methyl ester (6CI,7CI,8CI);2-Hydroxy-5-methylbenzoic acid methyl ester;Methyl 2-hydroxy-5-methylbenzoate;NSC 165635; |
| EINECS: | 245-173-5 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 2ºC |
| Boiling Point: | 242.4 °C at 760 mmHg |
| Flash Point: | 98.5 °C |
| Appearance: | Clear slightly yellow liquid. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.48720 |
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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
(3)InChIKey: JQYUQKRFSSSGJM-UHFFFAOYSA-N