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600-07-7

600-07-7 structural image
Product Name: Methylbutyric acid
Formula: C5H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 176.00 to 177.00 °C. @ 760.00 mm Hg
Solubility 45 mg/mL at 20 °C
Density 0.932-0.936
LogP 1.18
Refractive Index 1.404-1.408
Kovats Retention Index 839 842 838 866 890 890 818 818 815 869.5 818 830 819 861 818 846 813 842 829 896

COMPUTED DESCRIPTORS

Molecular Weight 102.13 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 102.068079557 g/mol
Monoisotopic Mass 102.068079557 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 68.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-methylbutyric acid is a methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. It has a role as a bacterial metabolite and a human metabolite. It is a conjugate acid of a 2-methylbutyrate.