Results for:
PubChem ID: 82330

2-methylundecane-2-thiol

Mass-Spectra

Compound Details

Synonymous names
2-Methylundecane-2-thiol
10059-13-9
2-Undecanethiol, 2-methyl-
tert-Dodecyl mercaptane
EINECS 233-191-6
2-Methylundecyl-2-thiol
tertiary dodecyl mercaptan
2-methyl-2-undecanethiol
2-methyl-undecane-2-thiol
SCHEMBL21128
1,1-Dimethyl-decyl-mercaptan
SCHEMBL564605
DTXSID00143406
1,1-Dimethyldecyl hydrosulfide #
NS00022992
E76524
Q-201800
Microorganism:

Yes

IUPAC name2-methylundecane-2-thiol
SMILESCCCCCCCCCC(C)(C)S
InchiInChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3
FormulaC12H26S
PubChem ID82330
Molweight202.4
LogP5.6
Atoms13
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaBacillus AmyloliquefaciensAgriculture University of Nanjing, ChinaTahir et al. 2017
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Fusarium GraminearumBallot et al. 2023
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusTSB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaBacillus AmyloliquefaciensLBSPME-GC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno