Results for:
PubChem ID: 18635

3-methylsulfanylpropanal

Mass-Spectra

Compound Details

Synonymous names	methylmercaptopropionaldehyde Methylmercaptopropionic aldehyde 3-methylsulphanylpropionaldehyde beta-methiopropionaldehyde 3-methylsulfanylpropanal beta-(Methylmercapto)propionaldehyde beta- methiopropionaldehyde CLUWOWRTHNNBBU-UHFFFAOYSA-N Methional 3-methylsulfanyl-propionaldehyde 3-Methylmercaptopropyl aldehyde 3-methylmercapto-propionaldehyde 3-Methylthiopropional 3-methylthiopropanal 3-methylthio-propionaldehyde beta-(Methylthio)propionaldehyde 3-methylsulfanyl-propanal 3-(Methylmercapto)propionaldehyde 4-Thiapentanal C4H8OS 3-[Methylthio]propionaldehyde 3-(Methylthio)propionaldehyde 3-(methylthio)propanaldehyde 3-(Methylsulfanyl)propanal AC1Q4HE0 .beta.-(Methylmercapto)propionaldehyde AC1L2CH9 Methional (natural) 3-(Methylthio)propionaldehyde, analytical reference material 3-(METHYLTHIO)PROPANAL 0AAO8V0F1R KSC490M1L .beta.-(Methylthio)propionaldehyde 7267AF UN2785 3-methylthio-1-propanal ACMC-1CO89 UNII-0AAO8V0F1R 3-(Methylsulfanyl)propanal # SCHEMBL40685 M0951 CTK3J0615 CHEMBL333298 3-(methylthio)-propanal NSC15874 RP18840 CCRIS 8434 3-(Methythio)-propanal UN 2785 LP057101 LS-2137 DTXSID9027528 OR019847 DSSTox_CID_7528 ZINC1733699 CHEBI:49017 Propanal,3-(methylthio)- SC-57912 NSC-15874 NSC 15874 TRA0169526 Methional, >=97%, FG DSSTox_GSID_27528 CJ-29485 AN-18940 ANW-27406 DSSTox_RID_78490 Propionaldehyde, 3-(methylthio)- MFCD00007022 ZINC01733699 TR-032132 3-(methylthio)propan-1-one RTR-032132 DB-003340 AI3-36656 KB-178546 I09-0015 AKOS000119355 Q-100401 Propanal, 3-(methylthio)- BRN 1739289 FEMA No. 2747 FT-0672242 Methional, natural, 98%, FG Tox21_201978 Tox21_303157 NCGC00259527-01 NCGC00257223-01 NCGC00091800-02 NCGC00091800-01 3268-49-3 MCULE-6273241704 EINECS 221-882-5 89124-35-6 CAS-3268-49-3 MolPort-001-791-808 4-Thiapentanal [UN2785] [Poison] 4-Thiapentanal [UN2785] [Poison] InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H
Microorganism:	Yes
IUPAC name	3-methylsulfanylpropanal
SMILES	CSCCC=O
Inchi	InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
Formula	CH3SCH2CH2CHO
PubChem ID	18635
Molweight	104.17
LogP	0.68
Atoms	14
Bonds	13
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Sulfides Aldehydes thioethers thiols sulfur compounds

mVOC Specific Details

MS-Links	MS-MS Spectrum 176781 MS-MS Spectrum 109360 MS-MS Spectrum 109359 MS-MS Spectrum 176783 MS-MS Spectrum 109361 MS-MS Spectrum 176782
MS-Links	GC-MS Spectrum 3345
1D-NMR-Links	1D NMR Spectrum 3866 1D NMR Spectrum 4133

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Indicum None T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b Fungi Tuber Melanosporum None T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b Fungi Tuber Magnatum n/a Italian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche) Gioacchini et al., 2008 Bacteria Lactobacillus Brevis n/a Schulz and Dickschat, 2007 Bacteria Lactobacillus Lactis n/a Schulz and Dickschat, 2007 Bacteria Oenococcus Oeni n/a Schulz and Dickschat, 2007 Fungi Pleurotus Eryngii Var. Tuoliensis na na Usami et al., 2014 Fungi Tuber Aestivum n/a T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region Cullere et al., 2010 Fungi Tuber Melanosporum n/a T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region Cullere et al., 2010

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Indicum None None Yes Fungi Tuber Melanosporum None None Yes Fungi Tuber Magnatum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Bacteria Lactobacillus Brevis n/a n/a Bacteria Lactobacillus Lactis n/a n/a Bacteria Oenococcus Oeni n/a n/a Fungi Pleurotus Eryngii Var. Tuoliensis na GC/MS, GC-O, AEDA No Fungi Tuber Aestivum n/a Gas chromatography-olfactometry (GC-O) Fungi Tuber Melanosporum n/a Gas chromatography-olfactometry (GC-O)