Results for:
PubChem ID: 7749

Ethyl Propanoate

Mass-Spectra

Compound Details

Synonymous names
ethylpropanoate
Ethylpropionate
Ethylester kyseliny propionove
Propionate d'ethyle
FKRCODPIKNYEAC-UHFFFAOYSA-N
Ethyl propanoate
ETHYL PROPIONATE
NATURAL ETHYL PROPIONATE
Propionic ester
Propionic ether
propionic acid ethyl
Ethyl n-propionate
Ethyl propionate, analytical standard
n-Ethyl propanoate
AC1L1PGR
CA1
Propanoic acid ethyl ester
Propionic acid ethyl ester
ACMC-1BQGO
Nat. Ethyl Propionate
AC1Q34MV
Ethyl ester of propanoic acid
Ethylester kyseliny propionove [Czech]
Propionate d'ethyle [French]
AT9K8FY49U
C2H5COOC2H5
Ethyl propionate (natural)
Propanoic acid, ethyl ester
propionic acid ethyl ester-
Propionic acid, ethyl ester
KSC174K6P
CHEMBL44115
NSC8848
SCHEMBL16045
UN1195
UNII-AT9K8FY49U
CTK0H4567
Ethyl propionate, 99%
P0505
Y1319
NE10649
RP18772
HSDB 5366
WLN: 2VO2
ZINC388078
DTXSID1040110
LS-2360
NSC 8848
NSC-8848
OR021501
OR197424
SBB060312
STL280279
UN 1195
ZB011270
CHEBI:41330
AN-24710
ANW-15209
CJ-03101
DSSTox_GSID_40110
KB-51648
TRA0031814
DSSTox_CID_20110
DSSTox_RID_79439
LMFA07010411
MFCD00009308
ZINC00388078
AI3-24354
DB-040613
RTR-001121
ST51046524
TR-001121
AKOS003216229
AKOS008947789
I14-2587
J-001405
J-521280
BRN 0506287
FEMA No. 2456
FT-0631582
Tox21_301081
105-37-3
F0001-0104
Ethyl propionate, >=97%, FCC, FG
MCULE-1639864693
NCGC00248281-01
NCGC00254982-01
CAS-105-37-3
EINECS 203-291-4
Ethyl propionate [UN1195] [Flammable liquid]
Ethyl propionate, natural, >=97%, FCC, FG
MolPort-001-769-743
WE(2:0/3:0)
Ethyl propionate [UN1195] [Flammable liquid]
32454-EP2301933A1
32454-EP2311827A1
74305-EP2269986A1
74305-EP2272843A1
74305-EP2287152A2
74305-EP2289868A1
74305-EP2292606A1
74305-EP2298750A1
74305-EP2305676A1
74305-EP2305825A1
74305-EP2308857A1
74305-EP2380568A1
Ethyl propionate LBG-29964, LBG-29965
4-02-00-00705 (Beilstein Handbook Reference)
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
Molweight102.133
LogP0.98
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLactobacillus Rhamnosus CIRM1436naDomiati cheesePogačić et al., 2016
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Fungi Ceratocystis FagacearumLin and Phelan 1993
FungiDipodascus AggregatusEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations.Stotzky and Schenk, 1976
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2013
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLactobacillus Rhamnosus CIRM1436curd-based broth mediumGC/MSYes
FungiPenicillium Commune PittMEAGC/MS
FungiTuber BorchiiYes
Fungi Ceratocystis Fagacearumno
FungiDipodascus Aggregatusn/an/a
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS