Acetic acid, 2-oxo-,butyl ester supplier

Name
BUTYL GLYOXYLATE
EINECS 228-561-9
CAS No. 6295-06-3
Article Data30
CAS DataBase
Density 1.013 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₃
Boiling Point 171.9 °C at 760 mmHg
Molecular Weight 130.144
Flash Point 62.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, oxo-, butyl ester (9CI);Glyoxylic acid, butyl ester (6CI,7CI,8CI);Butylglyoxylate;Butyl oxoacetate;NSC 11793;n-Butyl glyoxylate;AC1L2ZLI;Butyl 2-oxoacetate;AC1Q2X87;MolPort-001-781-770;
PSA 43.37000
LogP 0.52860

Acetic acid, 2-oxo-,butyl ester Specification

The Acetic acid, 2-oxo-,butyl ester with CAS registry number of 6295-06-3 is also known as n-Butyl glyoxylate. The systematic name is Butyl oxoacetate. In addition, the formula is C₆H₁₀O₃ and the molecular weight is 130.14.

Physical properties about this chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.18; (6)ACD/BCF (pH 7.4): 5.18; (7)ACD/KOC (pH 5.5): 113.04; (8)ACD/KOC (pH 7.4): 113.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37Å²; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 31.8 cm³; (15)Molar Volume: 128.3 cm³; (16)Polarizability: 12.6×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.013 g/cm³; (19)Flash Point: 62.8 °C; (20)Enthalpy of Vaporization: 40.82 kJ/mol; (21)Boiling Point: 171.9 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25 °C.

Uses of Acetic acid, 2-oxo-,butyl ester: it is used to produce Butyl 2-(5-benzyloxymethyl-2-furyl)glycolate by reaction with Benzyl-furfuryl ether. The reaction occurs with reagent Toluene-p-sulphonic acid and solvent Benzene at ambient temperature for 12 hours. The yield is about 55%.

Acetic acid, 2-oxo-,butyl ester is used to produce Butyl 2-(5-benzyloxymethyl-2-furyl)glycolate by reaction with Benzyl-furfuryl ether.

You can still convert the following datas into molecular structure:
1. SMILES: O=CC(=O)OCCCC
2. InChI: InChI=1/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3
3. InChIKey: NRYDRJHYTRBBEA-UHFFFAOYAN
4. Std. InChI: InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3
5. Std. InChIKey: NRYDRJHYTRBBEA-UHFFFAOYSA-N

Product Name

BUTYL GLYOXYLATE

Acetic acid, 2-oxo-,butyl ester Specification

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