Results for:
PubChem ID: 527

Propanal

Mass-Spectra

Compound Details

Synonymous names
Propionaldehyde
propanal
123-38-6
Propanaldehyde
Propaldehyde
Methylacetaldehyde
n-Propanal
Propylaldehyde
Propional
Propionic aldehyde
Propylic aldehyde
1-Propanal
Propyl aldehyde
Aldehyde propionique
n-Propionaldehyde
1-Propanone
Propanalaldehyde
Proprionaldehyde
FEMA No. 2923
FEMA Number 2923
Propionaldehyde (natural)
NCI-C61029
NSC 6493
CCRIS 2917
HSDB 1193
C2H5CHO
UNII-AMJ2B4M67V
EINECS 204-623-0
AMJ2B4M67V
DTXSID2021658
CHEBI:17153
AI3-16114
ETHYLCARBOXALDEHYDE
NSC-6493
MFCD00007020
DTXCID001658
EC 204-623-0
UN 1275
Propionaldehyd
methyl acetaldehyde
25722-18-3
Aldehyde propionique [French]
UN1275
proprionaldhyde
propion aldehyde
Propionaldehyde, 97%
Propionaldehyde (>80%)
WLN: VH2
PROPIONALDEHYDE [MI]
Pesticide Code: 202400
PROPIONALDEHYDE [FCC]
PROPIONALDEHYDE [FHFI]
PROPIONALDEHYDE [HSDB]
CHEMBL275626
Propionaldehyde, >=97%, FG
BDBM60952
DTXSID70166420
NSC6493
Propionaldehyde, analytical standard
STR01357
Tox21_201071
Propionaldehyde, reagent grade, 97%
STL264226
AKOS000119167
Propionaldehyde, natural, >=98%, FG
NCGC00091772-01
NCGC00091772-02
NCGC00258624-01
CAS-123-38-6
NS00008781
P0498
EN300-19153
C00479
Propionaldehyde [UN1275] [Flammable liquid]
A805061
InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H
Q422909
J-004931
J-524059
F2190-0621
2,5-Dioxo-1-[[1-oxo-6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexyl]oxy]-3-pyrrolidinesulfonic Acid Monosodium Salt;
Microorganism:

Yes

IUPAC namepropanal
SMILESCCC=O
InchiInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
FormulaC3H6O
PubChem ID527
Molweight58.08
LogP0.6
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID17153
Supernatural-IDSN0240672

mVOC Specific Details

Boiling Point
DegreeReference
48 °C peer reviewed
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
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
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTrichoderma VirideMalt extractGC/MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno