Results for:
PubChem ID: 7749

Ethyl Propanoate

Mass-Spectra

Compound Details

Synonymous names
ETHYL PROPIONATE
Ethyl propanoate
105-37-3
Propanoic acid, ethyl ester
Propionic ester
Propionic ether
Propionic acid, ethyl ester
Ethylpropionate
Propionate d'ethyle
Propionic acid ethyl ester
Ethyl n-propionate
Propanoic acid ethyl ester
FEMA No. 2456
Ethyl propionate (natural)
NSC 8848
Ethylester kyseliny propionove
HSDB 5366
UNII-AT9K8FY49U
EINECS 203-291-4
AT9K8FY49U
BRN 0506287
DTXSID1040110
CHEBI:41330
AI3-24354
NSC-8848
MFCD00009308
Ethyl ester of propanoic acid
DTXCID9020110
4-02-00-00705 (Beilstein Handbook Reference)
Ethyl Propionate(Propionic Acid Ethyl Ester)
Propionic acid-ethyl ester
WE(2:0/3:0)
ethylpropanoate
Propionate d'ethyle [French]
UN1195
Ethylester kyseliny propionove [Czech]
ethyl proprionate
n-Ethyl propanoate
Ethyl propionate, 99%
C2H5COOC2H5
propionic acid ethyl ester-
SCHEMBL16045
WLN: 2VO2
CHEMBL44115
ETHYL PROPIONATE [MI]
ETHYL PROPIONATE [FCC]
ETHYL PROPIONATE [FHFI]
FEMA 2456
NSC8848
AMY21941
Tox21_301081
Ethyl propionate, analytical standard
LMFA07010411
STL280279
AKOS003216229
AKOS008947789
Ethyl propionate, >=97%, FCC, FG
MCULE-1639864693
UN 1195
NCGC00248281-01
NCGC00254982-01
CAS-105-37-3
LS-13076
DB-040613
NS00012457
P0505
EN300-16126
Ethyl propionate, natural, >=97%, FCC, FG
Ethyl propionate [UN1195] [Flammable liquid]
J-001405
J-521280
Q2740687
Ethyl propionate LBG-29964, LBG-29965 battery grade
F0001-0104
Propionic acid-ethyl ester 1000 microg/mL in Acetonitrile
InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H
Microorganism:

Yes

IUPAC nameethyl propanoate
SMILESCCC(=O)OCC
InchiInChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
FormulaC5H10O2
PubChem ID7749
Molweight102.13
LogP1.2
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID41330
Supernatural-IDSN0088301

mVOC Specific Details

Boiling Point
DegreeReference
99.2 °C peer reviewed
Volatilization
The Henry's Law constant for ethyl propionate is estimated as 2.51X10-4 atm-cu m/mole(SRC) from its vapor pressure, 35.8 mm Hg(1), and water solubility, 19,200 mg/l(2). This Henry's Law constant indicates that ethyl propionate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). Ethyl propionate's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl propionate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 35.8 mm Hg(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ Az, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl propionate can be estimated to be about 12(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl propionate is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
35.8 mm Hg @ 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaLactobacillus RhamnosusnaDomiati cheesePogačić et al. 2016
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaDipodascus AggregatusEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations.NAStotzky and Schenck 1976
EukaryotaGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
EukaryotaCeratocystis FagacearumNALin and Phelan 1992
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Cyberlindnera FabianiiMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaTuber Borchiiyes
EukaryotaDipodascus Aggregatusn/an/ano
EukaryotaGeotrichum Candidummedium 863SPME-GC-MSyes
EukaryotaCeratocystis Fagacearumno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape 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
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
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno