CHEBI:60295 - 2-octynoic acid

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ChEBI Name 2-octynoic acid ChEBI ID CHEBI:60295 Definition An acetylenic fatty acid that is octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H12O2 Net Charge 0 Average Mass 140.17970 Monoisotopic Mass 140.08373 InChI InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10) InChIKey BQDKCWCMDBMLEH-UHFFFAOYSA-N SMILES CCCCCC#CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-octynoic acid (CHEBI:60295) is a acetylenic fatty acid (CHEBI:25380) 2-octynoic acid (CHEBI:60295) is a monounsaturated fatty acid (CHEBI:25413) IUPAC Name oct-2-ynoic acid Synonym Source 2-octyn-1-oic acid ChemIDplus Registry Numbers Types Sources 1751225 Reaxys Registry Number Reaxys 5663-96-7 CAS Registry Number ChemIDplus 5663-96-7 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 10381140 PubMed citation Europe PMC 15845458 PubMed citation Europe PMC 18563844 PubMed citation Europe PMC 23741428 PubMed citation Europe PMC Last Modified 30 April 2018