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Name |
Acetic acid, 2-oxo-,butyl ester |
EINECS | 228-561-9 |
CAS No. | 6295-06-3 | Density | 1.013 g/cm3 |
PSA | 43.37000 | LogP | 0.52860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10O3 | Boiling Point | 171.9 °C at 760 mmHg |
Molecular Weight | 130.144 | Flash Point | 62.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 30 |
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%.
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