Results for:
PubChem ID: 10448

3-methylsulfanylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names	Methionol 505-10-2 3-methylthiopropanol 3-(Methylthio)-1-propanol 3-(METHYLTHIO)PROPANOL 3-(methylthio)propan-1-ol 3-Hydroxypropyl methyl sulfide 1-Propanol, 3-(methylthio)- 3-Methylmercapto-1-propanol 3-(methylsulfanyl)propan-1-ol 3-methylsulfanylpropan-1-ol 3-Methylthio-1-propanol gamma-Methylmercaptopropyl alcohol 3-(Methylsulfanyl)-1-propanol 3-(Methylthio)propyl alcohol NSC 2859 Methyl 3-hydroxypropylsulfide methylmercaptopropanol FEMA No. 3415 gamma-Hydroxypropyl methyl sulfide .gamma.-Methylmercaptopropyl alcohol 3-Methylthiopropyl alcohol 3-(Methylsulfanyl)propanol 3-methylsulfanyl-1-propanol 3-methylsulfanyl-propan-1-ol 3-Methylmercaptopropyl Alcohol H1E1U441XX CHEBI:49019 NSC-2859 MFCD00036560 4-Thiapentan-1-ol 3-Hydroxypropyl methyl sulfide; 3-Methylmercapto-1-propanol; 4-Thiapentan-1-ol 3-Methyl thiopropaol UNII-H1E1U441XX EINECS 208-004-6 AI3-17420 3-(methylthio)propane-1-ol C4H10OS SCHEMBL101773 3-(Methylmercapto)propan-1-ol CHEMBL332887 DTXSID7060128 FEMA 3415 NSC2859 3-(Methylsulfanyl)-1-propanol # 3-(Methylthio)-1-propanol, 98% AKOS005255124 3-(Methylsulfanyl)propanol (methionol) 3-(METHYLTHIO)PROPANOL [FHFI] SB17653 AS-59057 3-(Methylthio)-1-propanol, >=98%, FG DB-003422 CS-0015993 M0735 NS00022250 laquo gammaRaquo -methylmercaptopropyl alcohol EN300-112112 A828145 J-640445 J-800459 Q-100564 Q11343729 InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H
Microorganism:	Yes
IUPAC name	3-methylsulfanylpropan-1-ol
SMILES	CSCCCO
Inchi	InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
Formula	C4H10OS
PubChem ID	10448
Molweight	106.19
LogP	0.5
Atoms	6
Bonds	3
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	alcohols sulfides thioethers sulfur compounds
CHEBI-ID	49019
Supernatural-ID	SN0060034

mVOC Specific Details

Boiling Point	Degree Reference 89 median
MS-Links	MS-MS Spectrum 21619 MS-MS Spectrum 20066 MS-MS Spectrum 20067 MS-MS Spectrum 20068 MS-MS Spectrum 21618 MS-MS Spectrum 21617
1D-NMR-Links	1D NMR Spectrum 3883 1D NMR Spectrum 4154
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008746

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Candida Albicans NA NA Fitzgerald et al. 2022 Eukaryota Candida Parapsilosis NA NA Fitzgerald et al. 2022 Prokaryota Oenococcus Oeni n/a NA Schulz and Dickschat 2007 Prokaryota Lactobacillus Brevis n/a NA Schulz and Dickschat 2007 Prokaryota Lactobacillus Hilgardii n/a NA Schulz and Dickschat 2007 Prokaryota Lactobacillus Plantarum n/a NA Schulz and Dickschat 2007 Prokaryota Alcaligenes Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Bacillus Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Citrobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Enterobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Klebsiella Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Lactobacillus Casei n/a NA Tracey and Britz 1989 Prokaryota Lactobacillus Plantarum n/a NA Tracey and Britz 1989 Prokaryota Pediococcus Damnosus n/a NA Tracey and Britz 1989 Prokaryota Leuconostoc Cremoris n/a NA Tracey and Britz 1989 Prokaryota Leuconostoc Dextranicum n/a NA Tracey and Britz 1989 Prokaryota Lactococcus Lactis n/a NA Tracey and Britz 1989 Prokaryota Leuconostoc Mesenteroides n/a NA Tracey and Britz 1989 Prokaryota Leuconostoc Paramesenteroides n/a NA Tracey and Britz 1989 Prokaryota Oenococcus Oeni n/a NA Tracey and Britz 1989 Eukaryota Tuber Melanosporum NA Splivallo et al. 2007 Eukaryota Tuber Borchii None T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Eukaryota 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 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019 Eukaryota Zygosaccharomyces Rouxii NA NA Pei et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021 Prokaryota Serratia Sp. NA NA Almeida et al. 2022 Prokaryota Enterobacter Sp. NA NA Almeida et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Candida Albicans YPD SPME/GC-MS no Eukaryota Candida Albicans TSB SPME/GC-MS no Eukaryota Candida Parapsilosis YPD SPME/GC-MS no Prokaryota Oenococcus Oeni n/a n/a no Prokaryota Lactobacillus Brevis n/a n/a no Prokaryota Lactobacillus Hilgardii n/a n/a no Prokaryota Lactobacillus Plantarum n/a n/a no Prokaryota Alcaligenes Sp. n/a n/a no Prokaryota Bacillus Sp. n/a n/a no Prokaryota Citrobacter Sp. n/a n/a no Prokaryota Enterobacter Sp. n/a n/a no Prokaryota Klebsiella Sp. n/a n/a no Prokaryota Lactobacillus Casei n/a n/a no Prokaryota Pediococcus Damnosus n/a n/a no Prokaryota Leuconostoc Cremoris n/a n/a no Prokaryota Leuconostoc Dextranicum n/a n/a no Prokaryota Lactococcus Lactis n/a n/a no Prokaryota Leuconostoc Mesenteroides n/a n/a no Prokaryota Leuconostoc Paramesenteroides n/a n/a no Eukaryota Tuber Melanosporum no Eukaryota Tuber Borchii None None yes Eukaryota Tuber Melanosporum None None yes Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no Eukaryota Zygosaccharomyces Rouxii YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae grape juice LC-15C HPLC no Prokaryota Serratia Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Prokaryota Enterobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no