Results for:
PubChem ID: 261

Compound Details

Synonymous names
butyraldehyde
butanal
123-72-8
n-butyraldehyde
Butyral
1-butanal
Butyric aldehyde
Butaldehyde
Butanaldehyde
Butylaldehyde
Butal
n-Butanal
Butalyde
Butyraldehyd
Butyl aldehyde
Aldeide butirrica
Aldehyde butyrique
Butyrylaldehyde
n-Butyl aldehyde
butan-1-al
NCI-C56291
FEMA Number 2219
NSC 62779
CCRIS 3221
HSDB 2798
n-C3H7CHO
EINECS 204-646-6
BRN 0506061
DTXSID8021513
CHEBI:15743
AI3-24198
UNII-H21352682A
MFCD00007023
NSC-62779
DTXCID601513
FEMA NO. 2219
H21352682A
BUTANAL N-BUTYRALDEHYDE
EC 204-646-6
4-01-00-03229 (Beilstein Handbook Reference)
BUTYRALDEHYDE (USP-RS)
BUTYRALDEHYDE [USP-RS]
Butyraldehyd [German]
Aldehyde butyrique [French]
Aldeide butirrica [Italian]
27789-14-6
Butyraldehyde (crude)
UN1129
Butirraldehido
butyr-aldehyde
n-Butylaldehyde
n -butyraldehyde
1-butanone
n- butanal
n-butyric aldehyde
Butanal;1-Butanal
Butyraldehyde(CZECH
Butyraldehyde, 99%
BUTYRALDEHYDE [MI]
bmse000972
BUTYRALDEHYDE [FCC]
Butyraldehyde, natural, FG
WLN: VH3
BUTYRALDEHYDE [FHFI]
BUTYRALDEHYDE [HSDB]
Butyraldehyde, >=96.0%
Pesticide Code: 202500
CHEMBL1478334
Butyraldehyde, >=99.0%, dry
BCP29795
NSC62779
Tox21_202491
STL281871
AKOS000120429
UN 1129
NCGC00091658-01
NCGC00260040-01
CAS-123-72-8
B0751
NS00007479
Butyraldehyde [UN1129] [Flammable liquid]
EN300-18029
C01412
Q410603
Butyraldehyde, purified by redistillation, >=99.5%
J-004978
J-519974
F2190-0595
InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H
Butyraldehyde, United States Pharmacopeia (USP) Reference Standard
Butyraldehyde, analytical standard, contains ~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer
Microorganism:

Yes

IUPAC namebutanal
SMILESCCCC=O
InchiInChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
FormulaC4H8O
PubChem ID261
Molweight72.11
LogP0.9
Atoms5
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID15743
Supernatural-IDSN0479962

mVOC Specific Details

Boiling Point
DegreeReference
74.8 °C peer reviewed
Volatilization
The Henry's Law constant for butyraldehyde is 1.15X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that butyraldehyde 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 9 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 days(SRC). Butyraldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Butyraldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 111 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 butyraldehyde is estimated as 72(SRC), using a log Kow of 0.88(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butyraldehyde 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. 9 (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
111 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
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
EukaryotaMortierella Alpina/globalpinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Angustaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Bainieriisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Exiguaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Gamsiiisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Gemmiferaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Horticolaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Humilis/verticilataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Hyalinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaEntomortierella Parvisporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Pseudozygosporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Solitariaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Zonataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
Lentinula EdodesGeng et al. 2024
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
EukaryotaMortierella Alpina/globalpinaPD agarPTR-ToF-MSno
EukaryotaMortierella AngustaPD agarPTR-ToF-MSno
EukaryotaMortierella BainieriPD agarPTR-ToF-MSno
EukaryotaLinnemannia ExiguaPD agarPTR-ToF-MSno
EukaryotaLinnemannia GamsiiPD agarPTR-ToF-MSno
EukaryotaMortierella GemmiferaPD agarPTR-ToF-MSno
EukaryotaPodila HorticolaPD agarPTR-ToF-MSno
EukaryotaPodila Humilis/verticilataPD agarPTR-ToF-MSno
EukaryotaLinnemannia HyalinaPD agarPTR-ToF-MSno
EukaryotaEntomortierella ParvisporaPD agarPTR-ToF-MSno
EukaryotaMortierella PseudozygosporaPD agarPTR-ToF-MSno
EukaryotaMortierella SolitariaPD agarPTR-ToF-MSno
EukaryotaMortierella ZonataPD agarPTR-ToF-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaTrichoderma VirideMalt extractGC/MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Lactobacillus PlantarumHabanero pepperGC–IMSno