Results for:
PubChem ID: 11124

Methyl Propanoate

Mass-Spectra

Compound Details

Synonymous names
METHYL PROPIONATE
Methyl propanoate
554-12-1
Propanoic acid, methyl ester
Methyl propylate
Methylpropionate
Propionic acid, methyl ester
Propionate de methyle
PROPIONIC ACID METHYL ESTER
FEMA No. 2742
FEMA Number 2742
Propanoic acid methyl ester
Methyl Propionate (natural)
NSC 9375
HSDB 5688
formyl propionate
EINECS 209-060-4
UNII-NB21C0D33W
Methylester kyseliny propionove
BRN 1737628
NB21C0D33W
AI3-10621
NSC-9375
Methyl ester of propanoic acid
DTXSID7027201
CHEBI:89873
4-02-00-00704 (Beilstein Handbook Reference)
MFCD00009306
WE(1:0/3:0)
Propionate de methyle [French]
UN1248
Methylester kyseliny propionove [Czech]
methyl proprionate
?Methyl propionate
Methyl propionate, 99%
C2H5COOCH3
Propionic acid-methyl ester
WLN: 2VO1
METHYL PROPANOATE [MI]
DTXCID507201
CHEMBL3183973
METHYL PROPIONATE [FHFI]
METHYL PROPIONATE [HSDB]
FEMA 2742
NSC9375
Methyl propionate, >=98%, FG
AMY21940
Tox21_200730
LMFA07010410
Methyl propionate, analytical standard
AKOS008908807
MCULE-7384824725
UN 1248
NCGC00248813-01
NCGC00258284-01
CAS-554-12-1
DB-003724
Methyl propionate, purum, >=99.0% (GC)
NS00012985
P0508
S0301
EN300-70278
A830633
Methyl propionate [UN1248] [Flammable liquid]
Q418391
B64DF78F-37BE-4C30-A4DB-6EB6AD7FDD52
J-522628
InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H
308065-15-8
Microorganism:

Yes

IUPAC namemethyl propanoate
SMILESCCC(=O)OC
InchiInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
FormulaC4H8O2
PubChem ID11124
Molweight88.11
LogP0.8
Atoms6
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID89873
Supernatural-IDSN0327328

mVOC Specific Details

Boiling Point
DegreeReference
79.8 °C peer reviewed
Volatilization
The Henry's Law constant for methyl propionate is 1.74X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl propionate is expected to volatilize from water surfaces(2). 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)(2) is estimated as 7 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)(2) is estimated as 5 days(SRC). Methyl propionate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl propionate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 84 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY,NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of methyl propionate is estimated as 66(SRC), using a log Kow of 0.82(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl propionate is expected to have high mobility in soil.
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. 10 (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)
Vapor Pressure
PressureReference
84.04 mm Hg @ 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
EukaryotaTuber RufumNAMarch et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
EukaryotaTuber RufumPressure balanced head-space sampling and GC/TOF-MSno