2-Methylbutyric acid - CAS 116-53-0
Catalog: |
BB003760 |
Product Name: |
2-Methylbutyric acid |
CAS: |
116-53-0 |
Synonyms: |
Butanoic acid, 2-methyl-; Butyric acid, 2-methyl-; Butyric acid, α-methyl-; (±)-2-Methylbutanoic acid; (±)-2-Methylbutyric acid; (±)-Methylethylacetic acid; (±)-α-Methylbutyric acid; 2-Ethylpropanoic acid; 2-Methyl-n-butyric acid; DL-2-Methylbutanoic acid; DL-2-Methylbutyric acid; DL-α-Methylbutyric acid; Active valeric acid; Ethylmethylacetic acid; Hydroangelic acid; Methylethylacetic acid; NSC 7304; α-Methyl-n-butyric acid; α-Methylbutyric acid |
Related CAS: | 600-07-7 (Deleted CAS) 35915-22-1 (Methylbutyric acid)
|
IUPAC Name: | 2-methylbutanoic acid |
Description: | 2-Methylbutyric acid (CAS# 116-53-0) is a common chemical reagent used in the synthesis of anticancer naphthoquinione aliphatic amides. Also used in the synthesis of novel erythromycins. |
Molecular Weight: | 102.13 |
Molecular Formula: | C5H10O2 |
Canonical SMILES: | CCC(C)C(=O)O |
InChI: | InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) |
InChI Key: | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
Boiling Point: | 176.5°C |
Melting Point: | -70°C |
Flash Point: | 77°C |
Purity: | ≥95% |
Density: | 0.9332 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol, Water |
Appearance: | Clear Colourless to Pale Yellow Liquid |
Storage: | Store at RT |
MDL: | MFCD00002669 |
LogP: | 1.11710 |
Refractive Index: | 1.401 : 1.408 at 20 deg C |
GHS Hazard Statement: | H290 (100%): May be corrosive to metals [Warning Corrosive to Metals] |
Precautionary Statement: | P234, P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P390, P404, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22967964 | 20121010 | 2-Methylbutyrylglycine induces lipid oxidative damage and decreases the antioxidant defenses in rat brain | Brain research |
22579985 | 20120801 | An in vitro evaluation of the effect of probiotics and prebiotics on the metabolic profile of human microbiota | Anaerobe |
22102402 | 20120701 | Study on pharmacokinetics and tissue distribution of pteryxin in mice by ultra-pressure liquid chromatography with tandem mass spectrometry | Biomedical chromatography : BMC |
22807836 | 20120701 | Butane-1,4-diyl bis-(pyridine-3-carboxyl-ate) | Acta crystallographica. Section E, Structure reports online |
22674272 | 20120606 | Parallel mitral and tufted cell pathways route distinct odor information to different targets in the olfactory cortex | The Journal of neuroscience : the official journal of the Society for Neuroscience |
Complexity: | 68.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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