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3-hydroxyoctanoic acid
octanoic acid, 3-hydroxy-

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CAS Number: 14292-27-4Picture of molecule3D/inchi
FDA UNII: 8M44B02CSJ
Nikkaji Web:J262.007C
Beilstein Number:1722650
XlogP3-AA:1.40 (est)
Molecular Weight:136.19112000
Formula:C6 H16 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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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: 287.00 to 289.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000263 mmHg @ 25.00 °C. (est)
Flash Point: 288.00 °F. TCC ( 142.22 °C. )
logP (o/w): 1.274 (est)
Soluble in:
 alcohol
 water, 2.901e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Hydroxy octanoic acid ≥98%
Odor: characteristic
Use: 3-Hydroxy octanoic acid is a hydroxylated fatty acid that has been found in LPS from P. aeruginosa and the methyl-branched poly
 
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:
natural substances and extractives
Recommendation for 3-hydroxyoctanoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 3-hydroxyoctanoic 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 :26613
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-hydroxyoctanoic acid
Chemidplus:0014292274
 
References:
 3-hydroxyoctanoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):26613
Pubchem (sid):134989478
 
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
Golm Metabolome Database:Search
KEGG (GenomeNet):C20793
HMDB (The Human Metabolome Database):HMDB01954
FooDB:FDB022761
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cherimoya
Search Trop Picture
 guava fruit
Search Trop Picture
 mango fruit
Search Trop Picture
 wine
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Synonyms:
3-hydroxy caprylic acid
3-hydroxycaprylic acid
(±)-3-hydroxyoctanoic acid
3-hydroxyoctanoicacid
 octanoic acid, 3-hydroxy-
 

Articles:

PubMed:International Union of Basic and Clinical Pharmacology. LXXXVIII. G protein-coupled receptor list: recommendations for new pairings with cognate ligands.
PubMed:Novel description of mcl-PHA biosynthesis by Pseudomonas chlororaphis from animal-derived waste.
PubMed:Isolation, structure elucidation, and iron-binding properties of lystabactins, siderophores isolated from a marine Pseudoalteromonas sp.
PubMed:Oriental orchid (Cymbidium floribundum) attracts the Japanese honeybee (Apis cerana japonica) with a mixture of 3-hydroxyoctanoic acid and 10-hydroxy- (E)-2-decenoic acid.
PubMed:Hirtionosides A-C, gallates of megastigmane glucosides, 3-hydroxyoctanoic acid glucosides and a phenylpropanoid glucoside from the whole plants of Euphorbia hirta.
PubMed:Functional characterization of an NADPH dependent 2-alkyl-3-ketoalkanoic acid reductase involved in olefin biosynthesis in Stenotrophomonas maltophilia.
PubMed:Scytonemides A and B, cyclic peptides with 20S proteasome inhibitory activity from the cultured cyanobacterium Scytonema hofmanii.
PubMed:Genetic replacement of tesB with PTE1 affects chain-length proportions of 3-hydroxyalkanoic acids produced through β-oxidation of oleic acid in Escherichia coli.
PubMed:Production of chiral (R)-3-hydroxyoctanoic acid monomers, catalyzed by Pseudomonas fluorescens GK13 poly(3-hydroxyoctanoic acid) depolymerase.
PubMed:Overexpression and characterization of medium-chain-length polyhydroxyalkanoate granule bound polymerases from Pseudomonas putida GPo1.
PubMed:Deorphanization of GPR109B as a receptor for the beta-oxidation intermediate 3-OH-octanoic acid and its role in the regulation of lipolysis.
PubMed:Simultaneous accumulation and degradation of polyhydroxyalkanoates: futile cycle or clever regulation?
PubMed:Large-scale production of poly(3-hydroxyoctanoic acid) by Pseudomonas putida GPo1 and a simplified downstream process.
PubMed:Reclassification of subspecies of Acidovorax avenae as A. Avenae (Manns 1905) emend., A. cattleyae (Pavarino, 1911) comb. nov., A. citrulli Schaad et al., 1978) comb. nov., and proposal of A. oryzae sp. nov.
PubMed:Microbial production of medium-chain-length 3-hydroxyalkanoic acids by recombinant Pseudomonas putida KT2442 harboring genes fadL, fadD and phaZ.
PubMed:Production of medium-chain-length hydroxyalkanoic acids from Pseudomonas putida in pH stat.
PubMed:Efficient production of (R)-3-hydroxycarboxylic acids by biotechnological conversion of polyhydroxyalkanoates and their purification.
PubMed:Biosynthesis and characterization of deuterated polyhydroxyoctanoate.
PubMed:Biosynthesis of medium-chain-length poly(hydroxyalkanoates) from soy molasses.
PubMed:Biosynthesis of medium chain length poly(3-hydroxyalkanoates) (mcl-PHAs) by Comamonas testosteroni during cultivation on vegetable oils.
PubMed:Bacterial poly(hydroxyalkanoates) as a source of chiral hydroxyalkanoic acids.
PubMed:The application of polyhydroxyalkanoates as tissue engineering materials.
PubMed:The wewakpeptins, cyclic depsipeptides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya semiplena.
PubMed:Microbial production and applications of chiral hydroxyalkanoates.
PubMed:Novel biodegradable copolyesters containing blocks of poly(3-hydroxyoctanoate) and poly(epsilon-caprolactone): synthesis and characterization.
PubMed:Polyhydroxyalkanoate (PHA) biosynthesis in Thermus thermophilus: purification and biochemical properties of PHA synthase.
PubMed:First-order kinetics analysis of monomer composition dependent polyhydroxyalkanoic acid degradation in Pseudomonas spp.
PubMed:Production of D-(--)-3-hydroxyalkanoic acid by recombinant Escherichia coli.
PubMed:Production of chiral R-3-hydroxyalkanoic acids and R-3-hydroxyalkanoic acid methylesters via hydrolytic degradation of polyhydroxyalkanoate synthesized by pseudomonads.
PubMed:Development of a process for the biotechnological large-scale production of 4-hydroxyvalerate-containing polyesters and characterization of their physical and mechanical properties.
PubMed:Intracellular degradation of two structurally different polyhydroxyalkanoic acids accumulated in Pseudomonas putida and Pseudomonas citronellolis from mixtures of octanoic acid and 5-phenylvaleric acid.
PubMed:Accumulation of Poly[(R)-3-hydroxyalkanoates] in Pseudomonas oleovorans during growth with octanoate in continuous culture at different dilution rates.
PubMed:Production of polyhydroxyalkanoic acids by Ralstonia eutropha and Pseudomonas oleovorans from an oil remaining from biotechnological rhamnose production.
PubMed:Synthesis of medium-chain-length polyhydroxyalkanoates in arabidopsis thaliana using intermediates of peroxisomal fatty acid beta-oxidation.
PubMed:3-, 6- and 7-hydroxyoctanoic acids are metabolites of medium-chain triglycerides and excreted in urine as glucuronides.
PubMed:Substrate specificities of poly(hydroxyalkanoate)-degrading bacteria and active site studies on the extracellular poly(3-hydroxyoctanoic acid) depolymerase of Pseudomonas fluorescens GK13.
PubMed:Molecular characterization of the extracellular poly(3-hydroxyoctanoic acid) [P(3HO)] depolymerase gene of Pseudomonas fluorescens GK13 and of its gene product.
PubMed:Degradation of poly(3-hydroxyoctanoic acid) [P(3HO)] by bacteria: purification and properties of a P(3HO) depolymerase from Pseudomonas fluorescens GK13.
PubMed:Ornibactins--a new family of siderophores from Pseudomonas.
PubMed:Diagnosis of medium-chain acyl-CoA dehydrogenase deficiency in lymphocytes and liver by a gas chromatographic method: the effect of oral riboflavin supplementation.
PubMed:3-Hydroxydicarboxylic aciduria due to long-chain 3-hydroxyacyl-coenzyme A dehydrogenase deficiency associated with sudden neonatal death: protective effect of medium-chain triglyceride treatment.
PubMed:3-Hydroxyoctanoic aciduria: identification of a new organic acid in the urine of a patient with non-ketotic hypoglycemia.
PubMed:Inhibition of aspartic proteinases by peptides containing lysine and ornithine side-chain analogues of statine.
PubMed:[Volatile acids in tropical fruits: cherimoya (Annona cherimolia, Mill.), guava (psidium guajava, L.), mango (Mangifera indica, L., var. Alphonso), papaya (Carica papaya, L.)].
 
Notes:
3-Hydroxycaprylic acid is an organic (3-hydroxy dicarboxylic) acid, a metabolite of medium-chain fatty acid oxidation found in human urine. It is believed that urinary 3-hydroxy dicarboxylic acids are derived from the w-oxidation of 3-hydroxy fatty acids and the subsequent b-oxidation of longer-chain 3-hydroxy dicarboxylic acids. (PMID 1870421 ) [HMDB]
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