Results for:
PubChem ID: 177

Acetaldehyde

Mass-Spectra

Compound Details

Synonymous names
Acetaldehyde polymerized
Aceticaldehyde
Acetylaldehyde
acetaldehyde
acetaldehydes
Aceteldehyde
acetoaldehyde
Ethylaldehyde
Acetaldehyd
Acetaldehyde Natural
Acetaldeyde
Azetaldehyd
ethaldehyde
aldehyde
Aldehyde acetique
ethanone
IKHGUXGNUITLKF-UHFFFAOYSA-N
NATURAL ALDEFRESH
Oxidized polyvinyl alcohol
ACETALD
Acetaldehyde, analytical standard
Acetan
acetic aldehyde
Aldeide acetica
ethanal
QMHAIX@
Acetic ethanol
acetic hydride
ethyl aldehyde
Octowy aldehyd
ACETYL GROUP
an oxidized polyvinyl alcohol
1-oxapropylene
CH2CHO
CH3CHO
AC1Q2CBI
ACETALDEHYDE, ACS
Acetaldehyde 10%
Acetaldehyde (natural)
GO1N1ZPR3B
AC1L18NF
Acetaldehyd [German]
ACMC-20alvc
oxidised poly(vinyl alcohol)
Aldehyde acetique [French]
UNII-GO1N1ZPR3B
Aldeide acetica [Italian]
DSSTox_CID_2
ethan-1-one
GTPL6277
KSC377C9B
NSC7594
Octowy aldehyd [Polish]
UN1089
CTK2H7190
HMDB00990
HSDB 230
WLN: VH1
Acetaldehyde, >=99%, meets FCC analytical specification
BIDD:ER0621
CHEMBL170365
RL04862
Aldehyde C(2)
bmse000647
C00084
CCRIS 1396
LTBB001460
RCRA waste number U001
Acetaldehyde, >=99%, FCC
DTXSID5039224
LS-1654
NSC 7594
NSC-7594
OR034199
OR201197
OR211731
OR257146
OR337227
STL264249
UN 1089
A838317
Acetaldehyde, >=99%, FG
CHEBI:15343
CHEBI:16571
NCI-C56326
Acetaldehyde solution, 5 M in THF
AN-23835
DSSTox_GSID_39224
SC-16387
TRA0071966
Acetaldehyde, >=99%, FCC, stabilized
DSSTox_RID_79423
MFCD00006991
AI3-31167
RTR-024198
TR-024198
Acetaldehyde, natural, >=99%, FG
Acetaldehyde, ReagentPlus(R), 99%
AKOS000120180
Epitope ID:145667
I14-6219
RCRA waste no. U001
FEMA No. 2003
FT-0621719
FT-0621749
FT-0668352
75-07-0
Acetaldehyde solution, 40 wt. % in isopropanol
Acetaldehyde, ACS reagent, >=99.5%
I14-57914
Acetaldehyde, 98% 100ml
Tox21_202479
Acetaldehyde solution, 50 wt. % in ethanol
Acetaldehyde, SAJ first grade, >=90.0%
F2190-0651
I14-113209
CAS-75-07-0
Acetaldehyde [UN1089] [Flammable liquid]
MCULE-6800925955
NCGC00091753-01
NCGC00260028-01
EINECS 200-836-8
Acetaldehyde solution, 50 wt. % (triacetin)
Acetaldehyde solution, 40 wt. % in H2O
Acetaldehyde solution, natural, 50 wt. % in ethanol
Acetaldehyde [UN1089] [Flammable liquid]
4998-EP0930075A1
4998-EP1441224A2
4998-EP2269979A1
4998-EP2269988A2
4998-EP2269989A1
4998-EP2269992A1
4998-EP2270004A1
4998-EP2270005A1
4998-EP2270010A1
4998-EP2270011A1
4998-EP2270014A1
4998-EP2270113A1
4998-EP2270114A1
4998-EP2272491A1
4998-EP2272517A1
4998-EP2272813A2
4998-EP2272825A2
4998-EP2272826A1
4998-EP2272831A1
4998-EP2272832A1
4998-EP2272834A1
4998-EP2272839A1
4998-EP2272840A1
4998-EP2272843A1
4998-EP2272848A1
4998-EP2272935A1
4998-EP2272972A1
4998-EP2272973A1
4998-EP2275102A1
4998-EP2275105A1
4998-EP2275395A2
4998-EP2275404A1
4998-EP2275409A1
4998-EP2275411A2
4998-EP2275412A1
4998-EP2277848A1
4998-EP2277865A1
4998-EP2277872A1
4998-EP2277878A1
4998-EP2277880A1
4998-EP2280000A1
4998-EP2280002A1
4998-EP2280006A1
4998-EP2280007A1
4998-EP2280008A2
4998-EP2280012A2
4998-EP2281812A1
4998-EP2281824A1
4998-EP2284146A2
4998-EP2284147A2
4998-EP2284148A1
4998-EP2284157A1
4998-EP2284160A1
4998-EP2286812A1
4998-EP2286915A2
4998-EP2287147A2
4998-EP2287153A1
4998-EP2287158A1
4998-EP2287159A1
4998-EP2287165A2
4998-EP2287166A2
4998-EP2289868A1
4998-EP2289871A1
4998-EP2289882A1
4998-EP2289890A1
4998-EP2289893A1
4998-EP2289894A2
4998-EP2292227A2
4998-EP2292576A2
4998-EP2292586A2
4998-EP2292589A1
4998-EP2292593A2
4998-EP2292610A1
4998-EP2292620A2
4998-EP2295401A2
4998-EP2295407A1
4998-EP2295411A1
4998-EP2295414A1
4998-EP2295418A1
4998-EP2295426A1
4998-EP2295427A1
4998-EP2295433A2
4998-EP2295434A2
4998-EP2295435A1
4998-EP2295437A1
4998-EP2295439A1
4998-EP2298312A1
4998-EP2298734A2
4998-EP2298736A1
4998-EP2298744A2
4998-EP2298749A1
4998-EP2298757A2
4998-EP2298758A1
4998-EP2298759A1
4998-EP2298767A1
4998-EP2298770A1
4998-EP2298775A1
4998-EP2298778A1
4998-EP2298780A1
4998-EP2298783A1
4998-EP2299509A1
4998-EP2301544A1
4998-EP2301911A1
4998-EP2301912A2
4998-EP2301916A2
4998-EP2301927A1
4998-EP2301929A1
4998-EP2301930A1
4998-EP2301931A1
4998-EP2301933A1
4998-EP2301935A1
4998-EP2301940A1
4998-EP2302382A2
4998-EP2302383A2
4998-EP2305250A1
4998-EP2305627A1
4998-EP2305629A1
4998-EP2305633A1
4998-EP2305648A1
4998-EP2305652A2
4998-EP2305660A1
4998-EP2305664A1
4998-EP2305668A1
4998-EP2305672A1
4998-EP2305674A1
4998-EP2305677A1
4998-EP2305679A1
4998-EP2305682A1
4998-EP2305684A1
4998-EP2305685A1
4998-EP2305686A1
4998-EP2305687A1
4998-EP2305808A1
4998-EP2305825A1
4998-EP2308562A2
4998-EP2308833A2
4998-EP2308838A1
4998-EP2308840A1
4998-EP2308841A2
4998-EP2308844A2
4998-EP2308845A2
4998-EP2308846A2
4998-EP2308848A1
4998-EP2308850A1
4998-EP2308851A1
4998-EP2308852A1
4998-EP2308861A1
4998-EP2308867A2
4998-EP2308870A2
4998-EP2308872A1
4998-EP2308874A1
4998-EP2308879A1
4998-EP2308882A1
4998-EP2308883A1
4998-EP2308960A1
4998-EP2311796A1
4998-EP2311797A1
4998-EP2311798A1
4998-EP2311799A1
4998-EP2311801A1
4998-EP2311802A1
4998-EP2311803A1
4998-EP2311806A2
4998-EP2311808A1
4998-EP2311818A1
4998-EP2311820A1
4998-EP2311822A1
4998-EP2311827A1
4998-EP2311829A1
4998-EP2311830A1
4998-EP2311837A1
4998-EP2311841A1
4998-EP2311842A2
4998-EP2314295A1
4998-EP2314574A1
4998-EP2314576A1
4998-EP2314579A1
4998-EP2314587A1
4998-EP2316470A2
4998-EP2316824A1
4998-EP2316825A1
4998-EP2316826A1
4998-EP2316829A1
4998-EP2316831A1
4998-EP2316832A1
4998-EP2316833A1
4998-EP2316836A1
4998-EP2316974A1
4998-EP2371811A2
4998-EP2371814A1
4998-EP2372017A1
4998-EP2374454A1
4998-EP2374780A1
4998-EP2374781A1
4998-EP2374783A1
4998-EP2374788A1
4998-EP2377841A1
4998-EP2377844A2
4998-EP2380871A1
MolPort-001-783-184
Acetaldehyde solution, natural, 50 wt. % in ethanol, analytical standard
21553-EP2287165A2
21553-EP2314295A1
21553-EP2314574A1
26915-EP2280009A1
26915-EP2305662A1
26915-EP2308857A1
26915-EP2314583A1
37566-EP2277867A2
37566-EP2280003A2
37566-EP2281820A2
37566-EP2284157A1
37566-EP2286811A1
37566-EP2287159A1
37566-EP2292227A2
37566-EP2298746A1
37566-EP2298750A1
37566-EP2298754A1
37566-EP2298758A1
37566-EP2298759A1
37566-EP2298763A1
37566-EP2298778A1
37566-EP2305664A1
37566-EP2305682A1
37566-EP2308861A1
37566-EP2308879A1
37566-EP2311802A1
37566-EP2311803A1
37566-EP2311840A1
37566-EP2374783A1
37566-EP2377841A1
37566-EP2377842A1
37566-EP2380874A2
Acetaldehyde solution, natural, 50 wt. % ethanol, FG
108796-EP2277864A1
108796-EP2280002A1
108796-EP2298305A1
108796-EP2298769A1
170111-EP2275413A1
170111-EP2287156A1
Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
InChI=1/C2H4O/c1-2-3/h2H,1H
BRD-K77914232-001-01-3
Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
Microorganism:

Yes

IUPAC nameacetaldehyde
SMILESCC=O
InchiInChI=1S/C2H4O/c1-2-3/h2H,1H3
FormulaCH3CHO
PubChem ID177
Molweight44.053
LogP-0.38
Atoms7
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaCoagulase Negative Staphylococcimilk of cowsHettinga et al 2010
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus Aureusn/aJia et al., 2010
BacteriaStreptococcus Dysgalactiaemilk of cowsHettinga et al 2010
BacteriaStreptococcus Uberismilk of cowsHettinga et al 2010
FungiAmylostereumMadden 1968
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiCandida Tropicalisn/aBunge et al., 2008
FungiMuscodor Crispansn/aMitchell et al., 2010
Fungi Penicillium CamembertiLarsen 1999
Fungi Penicillium CaseifulvumLarsen 1999
FungiPleurotus Ostreatus DS284nawidespread in many temperate and subtropical forests throughout the world, saprobeCantore et al., 2015
FungiPuccinia Graminis Var. TriticiInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.Stotzky and Schenk, 1976
FungiSaccharomyces CerevisiaeInhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.Stotzky and Schenk, 1976
FungiTrichoderma Sp.Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.Stotzky and Schenk, 1976
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber BorchiinanaSplivallo and Ebeler 2015
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 Oligospermumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
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
BacteriaStaphylococcus AureusMüller Hinton brothGC-MS(HPwax)no
BacteriaCoagulase Negative StaphylococciGCMS DSQno
BacteriaEscherichia Colin/an/a
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS
BacteriaStreptococcus DysgalactiaeGCMS DSQno
BacteriaStreptococcus UberisGCMS DSQno
FungiAmylostereumno
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiCandida Tropicalisn/an/a
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
FungiPleurotus Ostreatus DS284MEASPME-GC
FungiPuccinia Graminis Var. Triticin/an/a
FungiSaccharomyces Cerevisiaen/an/a
FungiTrichoderma Sp.n/an/a
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
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 Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS