Results for:
PubChem ID: 527

Propanal

Mass-Spectra

Compound Details

Synonymous names
Methylacetaldehyde
Propanalaldehyde
Proprionaldehyde
Propanaldehyde
Propionaldehyd
Propionaldehyde
Propylaldehyde
Propaldehyde
Aldehyde propionique
methyl acetaldehyde
n-Propionaldehyde
NBBJYMSMWIIQGU-UHFFFAOYSA-N
propanal
Propional
Propionaldehyde, analytical standard
Propionic aldehyde
Propylic aldehyde
propion aldehyde
propion-aldehyde
Propyl aldehyde
n-Propanal
n-Propylal
AC1Q2SOH
Propionaldehyde (natural)
1-Propanal
1-Propanone
ACMC-1BSLE
C2H5CHO
C3H6O
AC1L19FP
Aldehyde propionique [French]
Propionaldehyde, 97%
AMJ2B4M67V
Propan-1-one
7052AF
NSC6493
UN1275
UNII-AMJ2B4M67V
BDBM60952
CTK0H6096
HMDB03366
P0498
WLN: VH2
CHEMBL275626
LS-679
RP18245
STR01357
C00479
CCRIS 2917
HSDB 1193
LTBB001461
Propionaldehyde, >=97%, FG
Propionaldehyde, reagent grade, 97%
ZINC895256
DTXSID2021658
FEMA Number 2923
NSC 6493
NSC-6493
OR079721
OR210058
OR210059
OR226552
OR263524
OR327068
STL264226
UN 1275
A805061
CHEBI:17153
DSSTox_CID_1658
NCI-C61029
AN-22915
ANW-18125
DSSTox_GSID_21658
EBD2219812
KB-59981
SC-79769
TRA0001197
DSSTox_RID_76270
MFCD00007020
PROPYL, 3-OXO-
AI3-16114
Propionaldehyde, natural, >=98%, FG
RTR-003683
TR-003683
AKOS000119167
J-004931
J-524059
S14-1443
FEMA No. 2923
FT-0655858
Propionaldehyde, 97% 500ml
I14-16097
Tox21_201071
123-38-6
F2190-0621
Propionaldehyde [UN1275] [Flammable liquid]
ETHYL, 1-METHYL-2-OXO-
NCGC00091772-01
NCGC00091772-02
NCGC00258624-01
CAS-123-38-6
EINECS 204-623-0
Propionaldehyde [UN1275] [Flammable liquid]
EC 204-623-0
6413-EP2272491A1
6413-EP2284157A1
6413-EP2287159A1
6413-EP2298746A1
6413-EP2311802A1
6413-EP2311803A1
6413-EP2371831A1
6413-EP2374783A1
6413-EP2377841A1
MolPort-001-769-727
37632-EP2287158A1
37632-EP2295407A1
37632-EP2298736A1
37632-EP2298763A1
37632-EP2311802A1
37632-EP2311803A1
108797-EP2280002A1
108797-EP2298769A1
InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H
Microorganism:

Yes

IUPAC namepropanal
SMILESCCC=O
InchiInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
FormulaCH3CH2CHO
PubChem ID527
Molweight58.08
LogP0.32
Atoms10
Bonds9
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes

mVOC Specific Details

Volatilization
The Henry's Law constant for propionaldehyde is 7.34X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that propionaldehyde 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 11 hrs(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 5.8 days(SRC). Propionaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 317 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. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of propionaldehyde is estimated as 50(SRC), using a log Kow of 0.59(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionaldehyde is expected to have very 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. 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)
Vapor Pressure
PressureReference
317 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
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus Aureusn/aJia et al., 2010
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS
FungiTrichodema VirideMalt extractGC/MS
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS