Product Name

  • Name

    ISOPROPYL GLYCOLATE

  • EINECS 210-804-5
  • CAS No. 623-61-0
  • Article Data13
  • CAS DataBase
  • Density 1.05 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point
  • Formula C5H10O3
  • Boiling Point 159.3 °C at 760 mmHg
  • Molecular Weight 118.133
  • Flash Point 54.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 623-61-0 (ISOPROPYL GLYCOLATE)
  • Hazard Symbols
  • Synonyms Aceticacid, hydroxy-, 1-methylethyl ester (9CI);Glycolic acid, isopropyl ester(6CI,8CI);Isopropyl glycolate;NSC 14089;
  • PSA 46.53000
  • LogP -0.06970

Isopropyl glycolate Specification

The Isopropyl glycolate with the CAS number 623-61-0 is also called Acetic acid,2-hydroxy-, 1-methylethyl ester. The IUPAC name is propan-2-yl 2-hydroxyacetate. Its molecular formula is C5H10O3. The EINECS registry number is 210-804-5.

The properties of the chemical are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.84; (8)ACD/KOC (pH 7.4): 18.84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 28.48 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 11.29×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Enthalpy of Vaporization: 46.11 kJ/mol; (19)Vapour Pressure: 0.889 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of propan-2-ol and hydroxyacetic acid. This reaction needs reagent CuSO4 at temperature of 100°C.

Uses: This chemical can react with dimethoxymethane to prepare methoxymethoxy-acetic acid isopropyl ester. This reaction needs reagent p-toluenesulfonic acid and solvent CH2Cl2 at heating condition. The yield is 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)CO
(2)InChI: InChI=1/C5H10O3/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3
(3)InChIKey: AZKIQQBSVTWCGY-UHFFFAOYAH

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