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Generals
Classification
Quality
Toxicity & Safety
Receptors

Compound Summary

General Compound Information

pentanoic acid

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Description

Valeric acid is a straight-chain saturated fatty acid containing five carbon atoms. It has a role as a plant metabolite. It is a short-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a valerate.

Synonyms

Valeric acid; PENTANOIC ACID; n-Valeric acid; 109-52-4; n-Pentanoic acid;

Valerianic acid;1-Butanecarboxylic acid;Propylacetic acid;Butanecarboxylic acid;pentoic acid;Kyselina valerova;VALERIC ACID, N-;Valeric acid, normal;n-Pentanoate;Kyselina valerova [Czech];Valerate;FEMA No. 3101;Valeriansaeure;n-Valerate;1-pentanoic acid;NSC 406833;n-C4H9COOH;GZK92PJM7B;CH3-[CH2]3-COOH;DTXSID7021655;CHEBI:17418;NSC-406833;64118-37-2;NCGC00183281-01;C5:0;DTXCID801655;VALERICACID;CAS-109-52-4;SHF;HSDB 5390;Butane-1-carboxylic acid;EINECS 203-677-2;UNII-GZK92PJM7B;MFCD00004413;BRN 0969454;pentoate;Propylacetate;Valerianate;Valeriansaure;AI3-08657;Butanecarboxylate;1-pentanoate;1ylv;1-Butanecarboxylate;Valeric acid normal;n-BuCOOH;1173023-05-6;Valeric acid, 99%;Valeric acid, >=99%;bmse000345;EC 203-677-2;Pentanoic acid Valeric acid;SCHEMBL5886;VALERIC ACID [FCC];WLN: QV4;VALERIC ACID [FHFI];N-VALERIC ACID [MI];4-02-00-00868 (Beilstein Handbook Reference);MLS001066335;PENTANOIC ACID [HSDB];VALERIC ACID [MART.];Pentanoic Acid (Valeric Acid);CHEMBL268736;GTPL1061;Valeric acid ( Pentanoic acid );Valeric acid, analytical standard;HMS2267A03;Valeric acid-[3,4,5-13C3];HY-N6056;Tox21_113414;Tox21_201561;Tox21_303030;LMFA01010005;NSC406833;STL169350;Valeric acid, >=99%, FCC, FG;ZINC31500905;AKOS000118960;DB02406;NCGC00183281-02;NCGC00183281-03;NCGC00256597-01;NCGC00259110-01;BS-42203;SMR000471834;CS-0032261;FT-0651620;FT-0694066;V0003;EN300-19254;Valeric acid, pharmaceutical impurity standard;C00803;VALPROIC ACID IMPURITY A [EP IMPURITY];Q407796;J-002298;F2191-0105;Z104473312;

FlavorDB ID

2534

PUBCHEM ID

7991

Molecular Weight

102.13

Molecular Formula

C5H10O2

Openeye Can Smiles

CCCCC(=O)O

IUPAC Inchikey

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	sweaty, fruity	1.077e+2 µmol/L		details
smell	sweaty, fruity	1.665e+2 µmol/L		details
smell	sweaty	1.077e+2 µmol/L	white alba truffle burgundy truffle	details
smell	cheesy	1.077e+2 µmol/L	flavour hop	details
smell	rancid		water	details

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
VALERIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative