EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-hydroxypentanoic acid
pentanoic acid, 2-hydroxy-

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CAS Number: 617-31-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-509-1
FDA UNII: Search
Nikkaji Web:J95.434I
MDL:MFCD00065002
XlogP3-AA:0.40 (est)
Molecular Weight:118.13230000
Formula:C5 H10 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
Melting Point: 34.00 °C. @ 760.00 mm Hg
Boiling Point: 248.00 °C. @ 760.00 mm Hg (est)
Flash Point: 244.00 °F. TCC ( 118.00 °C. ) (est)
logP (o/w): 0.450
Soluble in:
 water, 3.381e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-hydroxyvaleric acid 98 % (1H-NMR)
 
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 2-hydroxypentanoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 2-hydroxypentanoic 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 :98009
National Institute of Allergy and Infectious Diseases:Data
2-hydroxypentanoic acid
Chemidplus:0000617312
 
References:
 2-hydroxypentanoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):98009
Pubchem (sid):135056851
 
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
HMDB (The Human Metabolome Database):HMDB01863
FooDB:FDB022717
YMDB (Yeast Metabolome Database):YMDB01559
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2-hydroxyvaleric acid
 pentanoic acid, 2-hydroxy-
 

Articles:

PubMed:Metabolomics reveals amino acids contribute to variation in response to simvastatin treatment.
PubMed:Chlorinated-solvent-free gas chromatographic analysis of biomass containing polyhydroxyalkanoates.
PubMed:Routine analysis of short-chain fatty acids for anaerobic bacteria identification using capillary electrophoresis and indirect ultraviolet detection.
PubMed:Total syntheses of (+/-)-anchinopeptolide D and (+/-)-cycloanchinopeptolide D.
PubMed:Poststatin, a new inhibitor of prolyl endopeptidase. IV. The chemical synthesis of poststain.
PubMed:Poststatin, a new inhibitor of prolyl endopeptidase. III. Optical resolution of 3-amino-2-hydroxyvaleric acid and absolute configuration of poststatin.
PubMed:Facile synthesis of chiral 2-hydroxy acids catalyzed by a stable duck epsilon-crystallin with endogenous L-lactate dehydrogenase activity.
PubMed:Hydroxylated analogues of 5-aminovaleric acid as 4-aminobutyric acidB receptor antagonists: stereostructure-activity relationships.
PubMed:Analyses of fermentation products of Listeria species by frequency-pulsed electron-capture gas-liquid chromatography.
 
Notes:
2-Hydroxyvaleric acid is an organic acid present in human biofluids. Its presence in urine has been associated with lactic acidosis, which occurs in Succinic Acidemia (OMIM 600335), a syndrome of organic acidemia associated with congenital lactic acidosis and decreased NADH-cytochrome c reductase activity. 2-Hydroxyvaleric acid presence associated with lactic acidosis has also been found in Propionyl-CoA carboxylase deficiency (OMIM 253260), or Multiple carboxylase deficiency (MCD), an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. (PMID: 9389332, 1790187, 3378323, 3383430, 7313494) [HMDB]
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