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CAS No.: | 29754-58-3 |
---|---|
Name: | 3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H10O6 |
Molecular Weight: | 226.186 |
Synonyms: | Benzoicacid, 5-(dihydroxyacetyl)-2-hydroxy-, methyl ester (9CI);Salicylic acid,5-(dihydroxyacetyl)-, methyl ester (8CI);Methyl2-hydroxy-5-(2,2-dihydroxy-1-oxoethyl)benzoate;Methyl5-(dihydroxyacetyl)salicylate; |
EINECS: | 604-604-1 |
Density: | 1.481±0.06 g/cm3(Predicted) |
Boiling Point: | 432.2 °C at 760 mmHg |
Flash Point: | 215.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 89.90000 |
LogP: | 0.49610 |
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The Benzoic acid,5-(2,2-dihydroxyacetyl)-2-hydroxy-, methyl ester, with the CAS registry number 29754-58-3, is also known as 3-Carbomethoxy-4-hydroxyphenylglyoxal hydrate 95%. This chemical's molecular formula is C10H10O6 and molecular weight is 226.1828. Its systematic name is called methyl 2-hydroxy-5-oxaldehydoyl-benzoate hydrate.
Physical properties of Benzoic acid,5-(2,2-dihydroxyacetyl)-2-hydroxy-, methyl ester: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.14; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Flash Point: 215.2 °C; (7)Enthalpy of Vaporization: 72.51 kJ/mol; (8)Boiling Point: 432.2 °C at 760 mmHg; (9)Vapour Pressure: 3.09E-08 mmHg at 25°C.
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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(ccc1O)C(=O)C=O.O
(2)InChI: InChI=1/C10H8O5.H2O/c1-15-10(14)7-4-6(9(13)5-11)2-3-8(7)12;/h2-5,12H,1H3;1H2
(3)InChIKey: DREKEUSJTBCXKI-UHFFFAOYAD