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2-oxohexanoic acid
alpha-ketocaproic acid

Supplier Sponsors

Name:	2-oxohexanoic acid
CAS Number:	2492-75-3	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J206.093K
XlogP3-AA:	1.00 (est)
Molecular Weight:	130.14330000
Formula:	C6 H10 O3
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category: information only not used for fragrances or flavors

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	198.70 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.200000 mmHg @ 25.00 °C. (est)
Flash Point:	191.00 °F. TCC ( 88.30 °C. ) (est)
logP (o/w):	0.350 (est)
Soluble in:
	water, 1.45e+005 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
information only not used for fragrances or flavors
Recommendation for 2-oxohexanoic acid usage levels up to:
	not for fragrance use.

Recommendation for 2-oxohexanoic acid flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :159664

National Institute of Allergy and Infectious Diseases:Data

2-oxohexanoic acid

Chemidplus:0002492753

References:

	2-oxohexanoic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	159664
Pubchem (sid):	135116511

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C00902
HMDB (The Human Metabolome Database):	HMDB01864
FooDB:	FDB022718
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

2-keto	caproate
alpha-keto	caproic acid
2-oxo	hexanoate
2-keto	hexanoic acid

Articles:

PubMed:Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.

PubMed:Identification of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, 4-hydroxy-2-oxohexanoic acid, and 2-hydroxyhexa-2,4-dienoic acid and related enzymes involved in testosterone degradation in Comamonas testosteroni TA441.

PubMed:Unified gas chromatographic-mass spectrometric method for quantitating tyrosine metabolites in urine and plasma.

PubMed:The kinetic properties of various R258 mutants of deacetoxycephalosporin C synthase.

PubMed:Lactate dehydrogenase-C4 is involved in heparin- and NADH-dependent bovine sperm capacitation.

PubMed:Signal transduction in islet hormone release: interaction of nitric oxide with basal and nutrient-induced hormone responses.

PubMed:GC-MS profiling of urinary organic acids evaluated as a quantitative method.

PubMed:Inhibition studies on LDH isoenzyme purified from Uromastix testes.

PubMed:Role of the conserved glycyl residues located at the active site of leucine dehydrogenase from Bacillus stearothermophilus.

PubMed:Determination of free D-amino acids with a bacterial transaminase: their depletion leads to inhibition of bacterial growth.

PubMed:Determination of alpha-keto acids including phenylpyruvic acid in human plasma by high-performance liquid chromatography with chemiluminescence detection.

PubMed:Analysis of beta-hydroxy-beta-methyl butyrate in plasma by gas chromatography and mass spectrometry.

PubMed:Versatile stable isotope technique for the measurement of amino acids and keto acids: comparison with radioactive isotope and its use in measuring in vivo disposal rates.

PubMed:Calcium uptake by bovine epididymal spermatozoa is regulated by the redox state of the mitochondrial pyridine nucleotides.

PubMed:Do branched chain keto amino acids regulate their own metabolism?

PubMed:p-Hydroxymercuribenzoic acid inhibits arachidonic acid esterification into two distinct pools and stimulates insulin release in intact rat islets.

PubMed:Transamination of neutral amino acids and 2-keto acids in pancreatic B-cell mitochondria.

PubMed:[Inhibition of postoperative muscular proteolysis by sodium alpha-ketoisocaproate: does a dose-effect relation exist?].

PubMed:Autoxidation and hydrolysis kinetics of the sodium salt of phenylbutazone in aqueous solution.

PubMed:Insulin release : the fuel concept.

PubMed:Micromethod for determination of lactate dehydrogenase isoenzyme C4 activity in human seminal plasma.

PubMed:Signal function of metabolism of neutral amino acids and 2-keto acids for initiation of insulin secretion.

PubMed:The stimulus-secretion coupling of amino acid-induced insulin release. Synergistic effects of L-glutamine and 2-keto acids upon insulin secretion.

PubMed:Stimulation of albumin synthesis by keto analogues of amino acids.

PubMed:Effects of alpha-ketomonocarboxylic acids upon insulin secretion and metabolism of isolated pancreatic islets.

Notes:

2-Ketohexanoic acid is a potent insulin secretagogue. (PMID 7045091) 2-Ketohexanoic acid directly inhibits the ATP-sensitive K+ channel (KATP channel) in pancreatic beta-cells (stimulated in isolated mouse islets), but it is unknown whether direct KATP channel inhibition contributes to insulin release by 2-ketohexanoic acid and related alpha-keto acid anions, which are generally believed to act via beta-cell metabolism. (PMID 16014804) [HMDB]

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