The IUPAC name of Methyl 2-hydroxy-2-methoxyacetate is methyl 2-(hydroxymethoxy)acetate. With the CAS registry number 19757-97-2, it is also named as 2-Hydroxy-2-methoxy acetic acid, methyl ester. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance], and the other registry number is 109745-70-2. Besides, it is soluble in water. In addition, its molecular formula is C4H8O4 and molecular weight is 120.10.
The other characteristics of Methyl 2-hydroxy-2-methoxyacetate can be summarized as: (1)EINECS: 243-271-2; (2)ACD/LogP: -0.20; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.2; (5)ACD/LogD (pH 7.4): -0.2; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 18.46; (9)ACD/KOC (pH 7.4): 18.45; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)#Freely Rotating Bonds: 4 ; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 25.59 cm3; (15)Molar Volume: 102.2 cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Density: 1.174 g/cm3; (18)Flash Point: 45.1 °C; (19)Enthalpy of Vaporization: 42.63 kJ/mol; (20)Boiling Point: 128.1 °C at 760 mmHg; (21)Vapour Pressure: 4.91 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)C(O)OC
(2)InChI:InChI=1/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
(3)InChIKey:OVJJVYHDJVQFSF-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
(5)Std. InChIKey:OVJJVYHDJVQFSF-UHFFFAOYSA-N
|