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| CAS No.: | 2150-46-1 |
|---|---|
| Name: | Methyl 2,5-dihydroxybenzoate |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C8H8O4 |
| Molecular Weight: | 168.149 |
| Synonyms: | Gentisicacid, methyl ester (6CI,7CI,8CI);2,5-Dihydroxybenzoic acid methyl ester;2-Methoxycarbonyl-1,4-Benzenediol;Methoxycarbonylhydroquinone;Methyl gentisate;NSC 618316; |
| EINECS: | 218-427-8 |
| Density: | 1.354 g/cm3 |
| Melting Point: | 86-88 °C(lit.) |
| Boiling Point: | 328.2 °C at 760 mmHg |
| Flash Point: | 137.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 66.76000 |
| LogP: | 0.88440 |
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Specification
This chemical is called Methyl 2,5-dihydroxybenzoate, and its CAS registry number is 2150-46-1. With the molecular formula of C8H8O4, its molecular weight is 168.15. Additionally, its product categories are Aromatic Esters; Acids & Esters; Phenols.
Other characteristics of the Methyl 2,5-dihydroxybenzoate can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.41; (6)ACD/BCF (pH 7.4): 14.35; (7)ACD/KOC (pH 5.5): 234.91; (8)ACD/KOC (pH 7.4): 233.92; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 41.78 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 16.56×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 59.32 kJ/mol; (21)Boiling Point: 328.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000101 mmHg at 25°C.
Uses of this chemical: The Methyl 2,5-dihydroxybenzoate could react with methanol, and obtain the 2,5-dihydroxy-benzoic acid methyl ester. This reaction needs the reagent of 95 percent H2SO4. The yield is 96 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(O)ccc1O
2.InChI: InChI=1/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3
3.InChIKey: XGDPKUKRQHHZTH-UHFFFAOYAS