Results for:
PubChem ID: 177

Acetaldehyde

Mass-Spectra

Compound Details

Synonymous names
acetaldehyde
ethanal
75-07-0
acetic aldehyde
ethyl aldehyde
Acetaldehyd
Acetylaldehyde
aldehyde
Aldeide acetica
Octowy aldehyd
Aldehyde acetique
Ethylaldehyde
Azetaldehyd
Acetic ethanol
RCRA waste number U001
NSC 7594
acetaldehydes
NCI-C56326
Acetaldehyde (natural)
FEMA No. 2003
CCRIS 1396
HSDB 230
ACETYL GROUP
ethaldehyde
CHEBI:15343
UNII-GO1N1ZPR3B
GO1N1ZPR3B
AI3-31167
EINECS 200-836-8
MFCD00006991
UN1089
DTXSID5039224
CH3CHO
NSC-7594
DTXCID202
ethanone
NSC7594
EC 200-836-8
ACETALDEHYDE (IARC)
ACETALDEHYDE [IARC]
ACETALDEHYDE (USP-RS)
ACETALDEHYDE [USP-RS]
Acetaldehyd [German]
Acetaldehido
Octowy aldehyd [Polish]
Aldeide acetica [Italian]
Aldehyde acetique [French]
Acetic aldehyde; Ethanal; Ethyl aldehyde; NSC 7594
RCRA waste no. U001
Acetaldehyde, >=99%, meets FCC analytical specification
acetaldhyde
acetoaldehyde
Acetaldeyde
Acetehyde
acetic hydride
ethan-1-one
8 - Formaldehyde
Acetaldehyde1501
MeCHO
Acetaldehyde Phenolic
ACETALD
CH2CHO
ACETALDEHYDE [MI]
ACETALDEHYDE [FCC]
bmse000647
Epitope ID:145667
ACETALDEHYDE [FHFI]
ACETALDEHYDE [HPUS]
ACETALDEHYDE [HSDB]
ACETALDEHYDE [INCI]
WLN: VH1
Pesticide Code: 202300
ACETALDEHYDE [WHO-DD]
Acetaldehyde, >=99%, FG
BIDD:ER0621
Acetaldehyde, >=99%, FCC
CHEMBL170365
GTPL6277
Acetaldehyde, analytical standard
CHEBI:16571
DTXSID30185596
STR01382
Tox21_202479
Acetaldehyde, natural, >=99%, FG
Acetaldehyde, ReagentPlus(R), 99%
STL264249
AKOS000120180
Acetaldehyde 1000 microg/mL in Water
MCULE-6800925955
UN 1089
Acetaldehyde, ACS reagent, >=99.5%
CAS-75-07-0
Acetaldehyde, >=99%, FCC, stabilized
NCGC00091753-01
NCGC00260028-01
Acetaldehyde 1000 microg/mL in Methanol
InChI=1/C2H4O/c1-2-3/h2H,1H
Acetaldehyde, >=90.0%, SAJ first grade
Acetaldehyde [UN1089] [Flammable liquid]
NS00010070
EN300-19152
C00084
D78540
Q61457
Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
A838317
BRD-K77914232-001-01-3
Q57695648
Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
F2190-0651
Flavor and Extract Manufacturers' Association Number 2003
Acetaldehyde, United States Pharmacopeia (USP) Reference Standard
puriss. p.a., anhydrous, inverted exclamation markY99.5% (GC)
VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL ACETATE UNITS)
Microorganism:

Yes

IUPAC nameacetaldehyde
SMILESCC=O
InchiInChI=1S/C2H4O/c1-2-3/h2H,1H3
FormulaC2H4O
PubChem ID177
Molweight44.05
LogP-0.3
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID15343
Supernatural-IDSN0147894

mVOC Specific Details

Boiling Point
DegreeReference
20.8 °C peer reviewed
Volatilization
The Henry's Law constant for acetaldehyde is 6.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetaldehyde 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 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 5.3 days(SRC). Acetaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 902 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci. Publ p. 125 (1984)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetaldehyde can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 21, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
902 mm Hg at 25 deg C;758 mm Hg at 20 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984., p. 125
MS-Links
MS-Links
1D-NMR-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz 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
ProkaryotaSerratia Myotisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly 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
ProkaryotaStreptococcus PyogenesNational Collection of Type CulturesSlade et al. 2022
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTrichoderma Sp.Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
EukaryotaSaccharomyces CerevisiaeInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
EukaryotaPuccinia GraminisInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.NAStotzky and Schenck 1976
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTuber Oligospermumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaMuscodor Crispansn/aNAMitchell et al. 2010
ProkaryotaStreptococcus Uberismilk of cowsHettinga et al. 2008
ProkaryotaStreptococcus Dysgalactiaemilk of cowsHettinga et al. 2008
ProkaryotaCoagulase-negative Staphylococcimilk of cowsHettinga et al. 2008
EukaryotaAmylostereum Sp.NAMadden 1968
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
EukaryotaPleurotus Ostreatusnawidespread in many temperate and subtropical forests throughout the world, saprobeLo Cantore et al. 2015
EukaryotaTuber BorchiinanaSplivallo and Ebeler 2015
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
EukaryotaTuber MelanosporumNoneFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
Saccharomyces CerevisiaeQin et al. 2024
Lactiplantibacillus PlantarumChen et al. 2023
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PneumoniaeBacT/ALERT FASIFT-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
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, 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
ProkaryotaSerratia MyotisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStreptococcus PyogenesTS agar/blood agarHS-SPME/GC-MSno
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaStaphylococcus AureusMueller Hinton brothGC-MS(HPwax)no
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTrichoderma Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaPuccinia Graminisn/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTuber Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSno
ProkaryotaStreptococcus UberisGCMS DSQno
ProkaryotaStreptococcus DysgalactiaeGCMS DSQno
ProkaryotaCoagulase-negative StaphylococciGCMS DSQno
EukaryotaAmylostereum Sp.no
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
EukaryotaPleurotus OstreatusMEASPME-GCno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber MelanosporumNonemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno