Results for:
PubChem ID: 88290

4-methyl-4-sulfanylpentan-2-one

Mass-Spectra

Compound Details

Synonymous names	QRNZMFDCKKEPSX-UHFFFAOYSA-N AC1Q5CGD AC1L3FEZ U660 KSC490E2P zlchem 201 ZLC0004 CTK3J0227 9524RG5ZQL SCHEMBL869584 ACT05878 UNII-9524RG5ZQL FCH835025 DTXSID8051839 OR106196 OR028226 ZINC5196459 K-5814 CHEBI:77856 AB1006026 CJ-12515 KB-39434 TRA0053417 MFCD00085208 4-Sulphanyl-4-methylpentan-2-one LMFA12000335 C-55492 RT-004542 4-Mercapto-4-methylpentan-2-one 4-Mercapto-4-methyl-2-pentanone 4-Methyl-4-mercaptopentan-2-one 4-Methyl-4-sulfanyl-2-pentanone 4-methyl-4-sulfanylpentan-2-one DB-006870 4-Sulfanyl-4-methylpentan-2-one 4-methyl-4-mercapto-2-pentanone J-012835 4-Methyl-4-thiolpentan-2-one AKOS006283682 S09-0079 FT-0600299 FT-0080852 4-methyl-4-mercaptopentan-2-one, AldrichCPR 4-Mercapto-4-methyl-pentan-2-one 4-Methyl-4-mercapto-pentan-2-one 2-Pentanone,4-mercapto-4-methyl- 4-methyl 4-mercaptopentan-2-one 1% solution EINECS 243-386-8 2-Pentanone, 4-mercapto-4-methyl- 19872-52-7 MolPort-006-123-071 4-Mercapto-4-methylpentan-2-one; 4-mercapto-4-methyl-2-Pentanone
Microorganism:	Yes
IUPAC name	4-methyl-4-sulfanylpentan-2-one
SMILES	CC(=O)CC(C)(C)S
Inchi	InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
Formula	C6H12OS
PubChem ID	88290
Molweight	132.22
LogP	1.27
Atoms	20
Bonds	19
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	Ketones thiols

mVOC Specific Details

MS-Links	MS-MS Spectrum 178299 MS-MS Spectrum 178300 MS-MS Spectrum 180616 MS-MS Spectrum 180615 MS-MS Spectrum 178301 MS-MS Spectrum 180617
MS-Links	GC-MS Spectrum 2504

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al., 2003
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Melanosporum n/a n/a