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4-pentynoic acid
pent-4-yn-1-oic acid

Supplier Sponsors

Name:pent-4-ynoic acid
CAS Number: 6089-09-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:228-028-0
FDA UNII: Search
Nikkaji Web:J69.139I
Beilstein Number:1742047
MDL:MFCD00004407
XlogP3-AA:0.30 (est)
Molecular Weight:98.10122000
Formula:C5 H6 O2
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
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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
Melting Point: 57.70 °C. @ 760.00 mm Hg
Boiling Point: 199.20 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.146000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.80 °C. ) (est)
logP (o/w): 0.402 (est)
Soluble in:
 water, 6.239e+004 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.
4-Pentynoic acid 95%
Endeavour Specialty Chemicals
4-Pentynoic acid
Speciality Chemical Product Groups
Matrix Scientific
For experimental / research use only.
4-Pentynoic acid, 95%
sds
Robinson Brothers
4-Pentynoic acid
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-Pentynoic Acid 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Pentynoic acid 95%
sds
TCI AMERICA
For experimental / research use only.
4-Pentynoic Acid >98.0%(GC)(T)
sds
 
Safety Information:
Preferred SDS: View
 
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:
intravenous-mouse LD50 28 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12263

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 4-pentynoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 4-pentynoic 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 :22464
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pent-4-ynoic acid
Chemidplus:0006089094
RTECS:SC4751000 for cas# 6089-09-4
 
References:
 pent-4-ynoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22464
Pubchem (sid):134988743
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.19.3000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 pent-4-yn-1-oic acid
 pent-4-ynoic acid
 propargylacetic acid
 

Articles:

PubMed:Effective PHIP labeling of bioactive peptides boosts the intensity of the NMR signal.
PubMed:Synthesis and evaluation of 2-amino-5-(4-[(18)F]fluorophenyl)pent-4-ynoic acid ([(18)F]FPhPA): a novel (18)F-labeled amino acid for oncologic PET imaging.
PubMed:An economical and safe procedure to synthesize 2-hydroxy-4-pentynoic acid: A precursor towards 'clickable' biodegradable polylactide.
PubMed:Concise stereoselective total synthesis of (+)-muricatacin and (+)-epi-muricatacin.
PubMed:Parahydrogen-induced polarization of carboxylic acids: a pilot study of valproic acid and related structures.
PubMed:Synthesis of molecularly encoded oligomers using a chemoselective "AB + CD" iterative approach.
PubMed:Versatile on-resin synthesis of high mannose glycosylated asparagine with functional handles.
PubMed:Valproic acid and its derivatives enhanced estrogenic activity but not androgenic activity in a structure dependent manner.
PubMed:In situ assembly of porous Au-paper electrode and functionalization of magnetic silica nanoparticles with HRP via click chemistry for Microcystin-LR immunoassay.
PubMed:Au(I)/Ag(I)-catalyzed cascade approach for the synthesis of benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones.
PubMed:Enantioselective apoptosis induction in histiocytic lymphoma cells and acute promyelocytic leukemia cells.
PubMed:Vanadium bromoperoxidase from Delisea pulchra: enzyme-catalyzed formation of bromofuranone and attendant disruption of quorum sensing.
PubMed:Preparation of peptide and other biomolecular conjugates through chemoselective ligations.
PubMed:Short-time gene expression response to valproic acid and valproic acid analogs in mouse embryonic stem cells.
PubMed:Covalent immobilization of redox protein via click chemistry and carbodiimide reaction: direct electron transfer and biocatalysis.
PubMed:Preparation, 99mTc-labeling and biodistribution studies of a PNA oligomer containing a new ligand derivative of 2,2'-dipicolylamine.
PubMed:Potent neuroprotective effects of novel structural derivatives of valproic acid: potential roles of HDAC inhibition and HSP70 induction.
PubMed:Heterogeneous catalysis of a copper-coated atomic force microscopy tip for direct-write click chemistry.
PubMed:Cu(I)-catalyzed intramolecular cyclization of alkynoic acids in aqueous media: a "click side reaction".
PubMed:Multiple effects of pentyl-4-yn-VPA enantiomers: from toxicity to short-term memory enhancement.
PubMed:S-2-pentyl-4-pentynoic hydroxamic acid and its metabolite s-2-pentyl-4-pentynoic acid in the NMRI-exencephaly-mouse model: pharmacokinetic profiles, teratogenic effects, and histone deacetylase inhibition abilities of further valproic acid hydroxamates and amides.
PubMed:Increased replication of human cytomegalovirus in retinal pigment epithelial cells by valproic acid depends on histone deacetylase inhibition.
PubMed:Differential enantioselective effects of pentyl-4-yn-valproate on spatial learning in the rat, and neurite outgrowth and cyclin D3 expression in vitro.
PubMed:Selection of test chemicals for the ECVAM international validation study on in vitro embryotoxicity tests. European Centre for the Validation of Alternative Methods.
PubMed:Pharmacological properties of YM-57029, a novel platelet glycoprotein IIb/IIIa antagonist.
PubMed:Infrared and Raman Spectra of a Single Resin Bead for Analysis of Solid-Phase Reactions and Use in Encoding Combinatorial Libraries.
PubMed:Pentyl-4-yn-valproic acid enhances both spatial and avoidance learning, and attenuates age-related NCAM-mediated neuroplastic decline within the rat medial temporal lobe.
PubMed:Prediction of embryotoxic effects of valproic acid-derivatives with molecular in vitro methods.
PubMed:5-[4-(3,3-Dimethylbutoxycarbonyl)phenyl]-4-pentynoic acid and its derivatives inhibit ionotropic gamma-aminobutyric acid receptors by binding to the 4'-ethynyl-4-n-propylbicycloorthobenzoate site.
PubMed:Formation of gamma-glutamylpropargylglycylglycine from propargylglycine in human blood and erythrocytes.
PubMed:Inhibition effect of propargylglycine on human fibrosarcoma HT-1080 cell invasiveness.
PubMed:Studies on the teratogen pharmacophore of valproic acid analogues: evidence of interactions at a hydrophobic centre.
PubMed:Evaluation of the Teratogenic Potential of Valproic Acid Analogues in Transgenic Dictyostelium discoideum Strains.
PubMed:Cell proliferation, migration and CAM-dependent neurite outgrowth as developmental in vitro endpoints for screening teratogenic potential: Application to valproic acid and related analogues of varying potency.
PubMed:Stereoselective dysmorphogenicity of the enantiomers of the valproic acid analogue 2-N-propyl-4-pentynoic acid (4-yn-VPA): cross-species evaluation in whole embryo culture.
PubMed:A new metabolite of proglypargylglycine, gamma-glutamylpropargylglycylglycine, in liver of D,L-propargylglycine-administered rats.
PubMed:In vivo detoxification of cyanide by cystathionase gamma-lyase.
PubMed:Validation of an in vitro teratology system using chiral substances: stereoselective teratogenicity of 4-yn-valproic acid in cultured mouse embryos.
PubMed:Mechanisms of interaction of Escherichia coli threonine synthase with substrates and inhibitors.
PubMed:The enantiomers of the valproic acid analogue 2-n-propyl-4-pentynoic acid (4-yn-VPA): asymmetric synthesis and highly stereoselective teratogenicity in mice.
PubMed:The enantioselective teratogenicity of 2-n-propyl-4-pentynoic acid (4-yn-VPA) is due to stereoselective intrinsic activity and not differences in pharmacokinetics.
PubMed:Valproic acid-induced neural tube defects in mouse and human: aspects of chirality, alternative drug development, pharmacokinetics and possible mechanisms.
PubMed:Determination of a new blood glucose-lowering agent in biological fluids by capillary gas chromatography using electron-capture detection.
PubMed:On the development of alternative antiepileptic drugs. Lack of enantioselectivity of the anticonvulsant activity, in contrast to teratogenicity, of 2-n-propyl-4-pentenoic acid and 2-n-propyl-4-pentynoic acid, analogues of the anticonvulsant drug valproic acid.
PubMed:Hepatotoxic action of a poisonous mushroom, Amanita abrupta in mice and its toxic component.
PubMed:Affinity labeling of D-amino acid oxidase with an acetylenic substrate.
PubMed:Elevation of hepatic tyrosine 2-oxoglutarate aminotransferase in rats by 4-pentynoic acid, a hypoglycemic agent.
PubMed:Antimetabolites produced by microorganisms. II. L-2-amino-4-pentynoic acid.
PubMed:[Data on acetylenic carboxylic acids. XI. Unsaturated lactones of thio-4-pentynoic acid].
 
Notes:
None found
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