Butanoic acid,2-methyl-3-oxo- supplier

Name
2-METHYLACETOACETIC ACID
EINECS
CAS No. 2382-59-4
Article Data22
CAS DataBase
Density 1.125g/cm³
Solubility
Melting Point 320-321 °C
Formula C₅H₈O₃
Boiling Point 227.9 °C at 760 mmHg
Molecular Weight 116.117
Flash Point 105.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoaceticacid, 2-methyl- (7CI,8CI);(?à)-2-Methyl-3-oxobutanoic acid;2-Acetylpropionic acid;2-Methyl-3-ketobutyric acid;2-Methyl-3-oxobutanoic acid;2-Methyl-3-oxobutyricacid;2-Methylacetoacetic acid;3-Oxo-2-methylbutyric acid;Propanoic acid,2-acetyl-;a-Methylacetoacetic acid;
PSA 54.37000
LogP 0.29610

Butanoic acid,2-methyl-3-oxo- Specification

The Butanoic acid,2-methyl-3-oxo-, with CAS registry number 2382-59-4, belongs to the following product category: Acetylgroup. It has the systematic name of 2-methyl-3-oxobutanoic acid. Besides this, it is also called 2-Methylacetoacetic acid. And the chemical formula of this chemical is C₅H₈O₃.

Physical properties of Butanoic acid,2-methyl-3-oxo-: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -3.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 26.76 cm³; (15)Molar Volume: 103.1 cm³; (16)Polarizability: 10.61×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 51.17 kJ/mol; (21)Boiling Point: 227.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0272 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(C(=O)O)C
(2)InChI: InChI=1/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)
(3)InChIKey: GCXJINGJZAOJHR-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)
(5)Std. InChIKey: GCXJINGJZAOJHR-UHFFFAOYSA-N

Product Name

2-METHYLACETOACETIC ACID

Butanoic acid,2-methyl-3-oxo- Specification

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