Results for:
PubChem ID: 1032

Propanoic Acid

Mass-Spectra

Compound Details

Synonymous names
propionic acid
Propanoic acid
79-09-4
ethylformic acid
methylacetic acid
Carboxyethane
Metacetonic acid
Ethanecarboxylic acid
Pseudoacetic acid
Luprosil
Monoprop
Prozoin
Antischim B
Propionoic acid
Acide propionique
Methyl acetic acid
Sentry grain preserver
C3 acid
Tenox P grain preservative
Caswell No. 707
Propionsaeure
Propcorn
Propkorn
propoic acid
Propioic acid
Propionic acid grain preserver
FEMA No. 2924
acide propanoique
Kyselina propionova
Propionic acid (natural)
FEMA Number 2924
CCRIS 6096
EPA Pesticide Chemical Code 077702
HSDB 1192
CH3-CH2-COOH
Acide propionique [French]
Kyselina propionova [Czech]
AI3-04167
proprionic acid
Propanyl acid
CHEBI:30768
BRN 0506071
UNII-JHU490RVYR
n-propionic acid
Toxi-Check
JHU490RVYR
EINECS 201-176-3
UN1848
INS NO.280
DTXSID8025961
Propionic acid [NF]
INS-280
MFCD00002756
CHEMBL14021
DTXCID505961
E-280
EC 201-176-3
metacetonate
propanate
pseudoacetate
4-02-00-00695 (Beilstein Handbook Reference)
PROPIONIC-2,2-D2 ACID
ethanecarboxylate
68937-68-8
68990-37-4
Propionic acid (NF)
Propionic acid [UN1848] [Corrosive]
Propionic acid, >=99.5%
PROPIONIC ACID (MART.)
PROPIONIC ACID [MART.]
Sentry Grain Preservative
Luprisol
proponic acid
1-propanoic acid
2-methylacetic acid
EINECS 273-079-4
Acid C3
EtCO2H
EHTYLFORMIC ACID
Propionic acid solution
Propionic acid, 99%
Propanoic acid (9CI)
C2H5COOH
bmse000179
Epitope ID:139981
Propionic acid, >=99%
Propionic acid, 99.5%
PROPIONIC ACID [MI]
Propionic acid (6CI,8CI)
PROPIONIC ACID [FCC]
Propionic acid, 99%, FCC
PROPIONIC ACID [FHFI]
PROPIONIC ACID [HSDB]
PROPIONIC ACID [INCI]
PROPIONIC ACID [VANDF]
GTPL1062
PROPIONIC ACID [USP-RS]
PROPIONIC ACID [WHO-DD]
AMY4114
DTXSID001015846
Propionic acid, ACS reagent grade
Carboxymethoxylaminehemihydrochloride
Propionic acid, analytical standard
Propionic acid, natural, 99%, FG
Tox21_304030
BDBM50082199
FA 3:0
LMFA01010003
STL168039
Propionic acid, feed grade, 98.7%
AKOS000118853
DB03766
MCULE-2199051150
UN 1848
CAS-79-09-4
Propionic acid, for synthesis, 99.5%
NCGC00357239-01
Propionic acid, >=99.5%, FCC, FG
BP-20411
E280
Propionic acid, ACS reagent, >=99.5%
NS00008857
P0500
EN300-19540
Propionic acid, SAJ first grade, >=98.0%
C00163
D02310
Propionic acid 1000 microg/mL in Acetonitrile
Propionic acid, puriss. p.a., >=99.5% (GC)
Q422956
F2191-0098
Z104474154
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5
Propionic acid, BioReagent, suitable for insect cell culture, ~99%
Propionic acid, United States Pharmacopeia (USP) Reference Standard
90990-11-7
Microorganism:

Yes

IUPAC namepropanoic acid
SMILESCCC(=O)O
InchiInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FormulaC3H6O2
PubChem ID1032
Molweight74.08
LogP0.3
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids organic acids carboxylic acids
CHEBI-ID30768
Supernatural-IDSN0425410

mVOC Specific Details

Boiling Point
DegreeReference
141.1 °C peer reviewed
Volatilization
A pKa of 4.87(1) indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 3.35 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data. NY, NY: Am Inst for Phys Prop Data (1985)
Soil Adsorption
The Koc of propionic acid is estimated as 36(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionic acid is expected to have very high mobility in soil. The pKa of propionic acid is 4.87(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 6 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
3.53 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 3718 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 20646
MS-MS Spectrum 398 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 22282
MS-MS Spectrum 22280
MS-MS Spectrum 3715 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 22196
MS-MS Spectrum 20731
MS-MS Spectrum 3716 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 397 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 399 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 20730
MS-MS Spectrum 20729
MS-MS Spectrum 22198
MS-MS Spectrum 3719 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 22197
MS-MS Spectrum 3714 - EI-B (HITACHI RMU-6M) Positive
MS-MS Spectrum 3717 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 20647
MS-MS Spectrum 20645
MS-MS Spectrum 22281
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
EukaryotaSaccharomyces CerevisiaeNATejero Rioseras et al. 2017
ProkaryotaStaphylococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Colin/aNAJulak et al. 2003
ProkaryotaKlebsiella Pneumoniaen/aNAJulak et al. 2003
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
ProkaryotaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.NAKurita-Ochiai et al. 1995
ProkaryotaBacteroides Distasonisn/aNAWiggins et al. 1985
ProkaryotaBacteroides Ovatusn/aNAWiggins et al. 1985
ProkaryotaBacteroides Thetaiotaomicronn/aNAWiggins et al. 1985
ProkaryotaBacteroides Vulgatusn/aNAWiggins et al. 1985
ProkaryotaClostridium Cadaverumn/aNAWiggins et al. 1985
ProkaryotaClostridium Bifermentansn/aNAWiggins et al. 1985
ProkaryotaClostridium Sporogenesn/aNAWiggins et al. 1985
ProkaryotaPorphyromonas Gingivalisn/aNAKurita-Ochiai et al. 1995
ProkaryotaPrevotella Loescheiin/aNAKurita-Ochiai et al. 1995
ProkaryotaFusobacterium Nucleatumn/aNAKurita-Ochiai et al. 1995
ProkaryotaCapnocytophaga Ochracean/aNAKurita-Ochiai et al. 1995
ProkaryotaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaKlebsiella PneumoniaeNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaAcinetobacter Baumanniiclinical exudatesJulak et al. 2003
ProkaryotaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Capillosusclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Fragilisclinical exudatesJulak et al. 2003
ProkaryotaBacteroides Pyogenesclinical exudatesJulak et al. 2003
ProkaryotaClostridium Difficileclinical exudatesJulak et al. 2003
ProkaryotaClostridium Perfringensclinical exudatesJulak et al. 2003
ProkaryotaClostridium Ramosumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Septicumclinical exudatesJulak et al. 2003
ProkaryotaClostridium Tertiumclinical exudatesJulak et al. 2003
ProkaryotaEubacterium Lentumclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Simiaeclinical exudatesJulak et al. 2003
ProkaryotaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
ProkaryotaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
ProkaryotaNocardia Sp.clinical exudatesJulak et al. 2003
ProkaryotaPeptostreptococcus Anaerobiusclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Acnesclinical exudatesJulak et al. 2003
ProkaryotaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
EukaryotaSaccharomyces Cerevisiaeyeast nitrogen base, 2% glucoseSESI-HRMSno
ProkaryotaStaphylococcus Sp.n/an/ano
ProkaryotaEscherichia ColiVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS no
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaPrevotella Loescheiin/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaBacteroides Distasonisn/an/ano
ProkaryotaBacteroides Ovatusn/an/ano
ProkaryotaBacteroides Thetaiotaomicronn/an/ano
ProkaryotaBacteroides Vulgatusn/an/ano
ProkaryotaClostridium Cadaverumn/an/ano
ProkaryotaClostridium Bifermentansn/an/ano
ProkaryotaClostridium Sporogenesn/an/ano
ProkaryotaCapnocytophaga Ochracean/an/ano
ProkaryotaEscherichia Colipeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
ProkaryotaKlebsiella Pneumoniaepeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
ProkaryotaAcinetobacter Baumanniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaClostridium Tertiumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPeptostreptococcus Anaerobiuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno