2-Oxohexanoic Acid - CAS 2492-75-3
Catalog: |
BB058412 |
Product Name: |
2-Oxohexanoic Acid |
CAS: |
2492-75-3 |
Synonyms: |
2-Ketocaproic Acid; 2-Ketohexanoic Acid; 2-Oxocaproic Acid; α-Ketocaproic Acid; α-Ketohexanoic Acid; α-Oxo-n-caproic Acid; α-Oxocaproic Acid |
IUPAC Name: | 2-oxohexanoic acid |
Description: | 2-Oxohexanoic Acid (cas# 2492-75-3) has been useful in a biological study that investigated the impact of glutathione on wines oxidative stability. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | CCCCC(=O)C(=O)O |
InChI: | InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
InChI Key: | XNIHZNNZJHYHLC-UHFFFAOYSA-N |
Boiling Point: | 198.70 °C at 760.00 mm Hg (est) |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | Refrigerator |
LogP: | 0.350 (est) |
References: | Nikolantonaki, M., et al. Front. Chem. (Lausanne, Switzerland), 6, 182 (2018). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22371816 | 20120101 | Genomic Comparison of the Closely Related Salmonella enterica Serovars Enteritidis and Dublin | The open microbiology journal |
21081950 | 20110101 | Pentalenic acid is a shunt metabolite in the biosynthesis of the pentalenolactone family of metabolites: hydroxylation of 1-deoxypentalenic acid mediated by CYP105D7 (SAV_7469) of Streptomyces avermitilis | The Journal of antibiotics |
21205930 | 20110101 | From amino acid to glucosinolate biosynthesis: protein sequence changes in the evolution of methylthioalkylmalate synthase in Arabidopsis | The Plant cell |
21153519 | 20101101 | Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations | Protein & cell |
20736162 | 20101029 | Transamination is required for {alpha}-ketoisocaproate but not leucine to stimulate insulin secretion | The Journal of biological chemistry |
19859707 | 20100101 | Pentanol isomer synthesis in engineered microorganisms | Applied microbiology and biotechnology |
19621900 | 20090908 | Engineering the substrate binding site of benzoylformate decarboxylase | Biochemistry |
19342795 | 20090401 | Crystallization and preliminary X-ray analysis of D-2-hydroxyacid dehydrogenase from Haloferax mediterranei | Acta crystallographica. Section F, Structural biology and crystallization communications |
18940002 | 20081021 | Norvaline is accumulated after a down-shift of oxygen in Escherichia coli W3110 | Microbial cell factories |
17189332 | 20070201 | Two Arabidopsis genes (IPMS1 and IPMS2) encode isopropylmalate synthase, the branchpoint step in the biosynthesis of leucine | Plant physiology |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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