Benzoic acid,5-(2,2-dihydroxyacetyl)-2-hydroxy-, methyl ester supplier

Name
3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE
EINECS 604-604-1
CAS No. 29754-58-3
Article Data5
CAS DataBase
Density 1.481±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₀H₁₀O₆
Boiling Point 432.2 °C at 760 mmHg
Molecular Weight 226.186
Flash Point 215.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 89.90000
LogP 0.49610

Benzoic acid,5-(2,2-dihydroxyacetyl)-2-hydroxy-, methyl ester Specification

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

Product Name

3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE

Benzoic acid,5-(2,2-dihydroxyacetyl)-2-hydroxy-, methyl ester Specification

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