Results for:
PubChem ID: 18635

3-methylsulfanylpropanal

Mass-Spectra

Compound Details

Synonymous names
3-(Methylthio)propionaldehyde
Methional
3268-49-3
3-(METHYLTHIO)PROPANAL
Propanal, 3-(methylthio)-
3-methylsulfanylpropanal
4-Thiapentanal
3-(Methylsulfanyl)propanal
3-(Methylmercapto)propionaldehyde
3-methylthiopropanal
Propionaldehyde, 3-(methylthio)-
3-Methylmercaptopropyl aldehyde
Methylmercaptopropionic aldehyde
beta-(Methylthio)propionaldehyde
3-Methylthiopropional
beta-(Methylmercapto)propionaldehyde
FEMA No. 2747
3-methylthiopropionaldehyde
NSC 15874
3-[Methylthio]propionaldehyde
3-(Methythio)-propanal
3-(methylthio)-propanal
3-methylsulfanyl-propanal
.beta.-(Methylmercapto)propionaldehyde
3-methylthio-propionaldehyde
0AAO8V0F1R
3-methylmercapto-propionaldehyde
3-methylsulfanyl-propionaldehyde
DTXSID9027528
CHEBI:49017
.beta.-(Methylthio)propionaldehyde
NSC-15874
methylmercaptopropionaldehyde
Methional (natural)
DTXCID507528
C4H8OS
CAS-3268-49-3
EINECS 221-882-5
UN2785
UNII-0AAO8V0F1R
BRN 1739289
3-(methylthio)propanaldehyde
AI3-36656
CCRIS 8434
Methylmercaptoaldehyde
3-Methyl-thiopropanal
4-Thiapentanal [UN2785] [Poison]
3-(Methylthiol)propanal
3-methylthio-1-propanal
EC 221-882-5
3-(Methylthio)-1-propanal
3-(methythio)propionaldehyde
3-(methylthio)propan-1-one
Methional, >=97%, FG
SCHEMBL40685
3-(Methylsulfanyl)propanal #
3-(methylthio)-propionaldehyde
3-methylsulphanylpropionaldehyde
CHEMBL333298
Methional, natural, 98%, FG
beta -(methylthio)propionaldehyde
FEMA 2747
HSDB 8499
NSC15874
3-(Methylthio)propanal (Methional)
3-(Methylthio)propionaldehyde, 8CI
Tox21_201978
Tox21_303157
beta -(methylmercapto)propionaldehyde
MFCD00007022
AKOS000119355
MCULE-6273241704
UN 2785
4-Thiapentanal [UN2785] [Poison]
3-METHYLTHIOPROPIONALDEHYDE [FCC]
NCGC00091800-01
NCGC00091800-02
NCGC00257223-01
NCGC00259527-01
3-(methylthio)propionaldehyde (methional)
MS-20669
DB-003340
M0951
NS00006695
3-(METHYLTHIO) PROPIONALDEHYDE [FHFI]
EN300-20267
Q-100401
Q2191936
3-(Methylmercapto)propionaldehyde, 3-(Methylthio)propanal
3-(Methylthio)propionaldehyde, analytical reference material
InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H
Microorganism:

Yes

IUPAC name3-methylsulfanylpropanal
SMILESCSCCC=O
InchiInChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
FormulaC4H8OS
PubChem ID18635
Molweight104.17
LogP0.3
Atoms6
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaldehydes sulfur compounds thiols
CHEBI-ID49017
Supernatural-IDSN0049264

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
EukaryotaTuber Magnatumn/aItalian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaLactobacillus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaOenococcus Oenin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Brevisn/aNASchulz and Dickschat 2007
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaLactobacillus Lactisn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno