Results for:
chemical Classification: thiols

Methanethiol

Mass-Spectra

Compound Details

Synonymous names
methanethiol
METHYL MERCAPTAN
Methylmercaptan
Mercaptomethane
74-93-1
Methyl sulfhydrate
Thiomethanol
Methanthiol
Thiomethyl alcohol
Metilmercaptano
Methvtiolo
Methylmercaptaan
Mercaptan methylique
Methaanthiol
Thiomethane
RCRA waste number U153
FEMA No. 2716
Methanethiole
CH3SH
methyl-mercaptan
Methyl thioalcohol
MeSH
UN 1064
2X8406WW9I
Methaanthiol [Dutch]
Methanthiol [German]
Methvtiolo [Italian]
Methylmercaptaan [Dutch]
Metilmercaptano [Italian]
Metilmercaptano [Spanish]
SCH 54292
Methyl mercaptan (natural)
Mercaptan methylique [French]
HSDB 813
EINECS 200-822-1
UN1064
RCRA waste no. U153
BRN 1696840
methylsulfanyl
methane thiol
methyl sulfides
methyl thiol
methyl-thiol
UNII-2X8406WW9I
(methyl)sulfane
Methylthioalcohol
a methyl thioether
sulfonium methylide
Methanethiol, purum
Methanethiol, 98.0%
METHANETHIOL [MI]
EC 200-822-1
Methanethiol, >=98.0%
4-01-00-01273 (Beilstein Handbook Reference)
METHYL MERCAPTAN [FHFI]
METHYL MERCAPTAN [HSDB]
DTXSID5026382
CHEBI:16007
CHEBI:86315
DTXSID10168842
DTXSID60992376
InChI=1/CH4S/c1-2/h2H,1H
NSC229573
AKOS009157032
NSC-229573
Methyl mercaptan [UN1064] [Poison gas]
NS00020025
C00409
Q409309
17719-48-1
Z22
Microorganism:

Yes

IUPAC namemethanethiol
SMILESCS
InchiInChI=1S/CH4S/c1-2/h2H,1H3
FormulaCH4S
PubChem ID878
Molweight48.11
LogP0.5
Atoms2
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID16007
Supernatural-IDSN0213930

mVOC Specific Details

Boiling Point
DegreeReference
5.95 °C peer reviewed
Volatilization
The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 0.8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)
Vapor Pressure
PressureReference
1,510 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaEscherichia ColiNANADolch et al. 2012
ProkaryotaPseudomonas AeruginosaNANADolch et al. 2012
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANACarroll et al. 2005
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
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
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaAlpha Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaGamma Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaAlcaligenes Faecalisn/aNASchulz and Dickschat 2007
ProkaryotaDesulfovibrio Acrylicusn/aNASchulz and Dickschat 2007
ProkaryotaParasporobacterium Paucivoransn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaOenococcus Oenin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Brevisn/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Hilgardiin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Plantarumn/aNASchulz and Dickschat 2007
ProkaryotaPorphyromonas Gingivalisn/aNASchulz and Dickschat 2007
ProkaryotaFusobacterium Nucleatumn/aNASchulz and Dickschat 2007
ProkaryotaTreponema Denticolan/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Freundiin/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTuber Magnatumn/aItalian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
ProkaryotaPseudomonas TolaasiinanaLo Cantore et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
ProkaryotaKlebsiella PneumoniaeNARees et al. 2016a
EukaryotaSchizophyllum Communen/aNAStotzky and Schenck 1976
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaEscherichia ColiLBIMR-MSno
ProkaryotaPseudomonas AeruginosaLBIMR-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaPseudomonas selectiveSIFT-MSno
ProkaryotaPseudomonas AeruginosaBlood agarSIFT-MSno
ProkaryotaPseudomonas AeruginosaBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaDesulfovibrio Acrylicusn/an/ano
ProkaryotaParasporobacterium Paucivoransn/an/ano
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaLactobacillus Lactisn/an/ano
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaTreponema Denticolan/an/ano
ProkaryotaCitrobacter Freundiin/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas TolaasiiKBSPME-GCno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
ProkaryotaKlebsiella PneumoniaeLB GCxGC-TOF-MSno
EukaryotaSchizophyllum Communen/an/ano
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
ProkaryotaAchromobacter 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
ProkaryotaSerratia 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
ProkaryotaEnterobacter 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
ProkaryotaEscherichia ColiLB 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
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


2-sulfanylethanol

Mass-Spectra

Compound Details

Synonymous names
2-mercaptoethanol
Mercaptoethanol
60-24-2
Beta-Mercaptoethanol
Thioglycol
2-Sulfanylethanol
Ethanol, 2-mercapto-
2-Thioethanol
Thioethylene glycol
2-Hydroxyethanethiol
2-Hydroxyethyl mercaptan
Monothioglycol
Thiomonoglycol
2-Hydroxy-1-ethanethiol
1-Ethanol-2-thiol
Hydroxyethyl mercaptan
Monothioethylene glycol
2-Mercapto-1-ethanol
1-Hydroxy-2-mercaptoethane
2-Mercaptoethyl alcohol
2-ME
Ethylene glycol, monothio-
1-Mercapto-2-hydroxyethane
beta-Hydroxyethanethiol
2-sulfanylethan-1-ol
2-Hydroxyethylmercaptan
Emery 5791
USAF EK-4196
.beta.-Hydroxyethanethiol
.beta.-Mercaptoethanol
NSC 3723
.beta.-Hydroxyethylmercaptan
14R9K67URN
DTXSID4026343
CHEBI:41218
NSC-3723
155613-89-1
Mercaptoetanol
BME
Monothioethyleneglycol
2-Mercaptoethanol, >=99.0%
beta-Hydroxyethylmercaptan
|A-mercaptoethanol
2-mercapto ethanol
Cuprate(6-), .mu.-2,2-(1-methyl-1,2-ethanediyl)bisimino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2-hyd
CCRIS 2097
HSDB 5199
EINECS 200-464-6
UN2966
BRN 0773648
UNII-14R9K67URN
2mercaptoethanol
AI3-07710
b-mercaptoethanol
2-mercapto-ethanol
2-sulfanyl-ethanol
beta-sulfanylethanol
hydroxyethyl sulfide
mercaptoethyl alcohol
MFCD00004890
beta -mercaptoethanol
2-Sulfanylethanol #
2-hydroxy-ethanethiol
2-mercaptoethan-1-ol
HSCH2CH2OH
?-MERCAPTOETHANOL
WLN: SH2Q
EC 200-464-6
4-01-00-02428 (Beilstein Handbook Reference)
DivK1c_000784
BDBM7971
CHEMBL254951
2-MERCAPTOETHANOL [MI]
FEMA NO. 4582
HMS502H06
KBio1_000784
NSC3723
NINDS_000784
Thioglycol [UN2966] [Poison]
STL482546
2-Mercaptoethanol, for electrophoresis
AKOS000118900
CCG-231050
DB03345
MCULE-2252943288
UN 2966
IDI1_000784
BP-21398
2-Mercaptoethanol, for synthesis, 99.0%
DS-014379
M0058
M1948
NS00005734
EN300-19346
C00928
2-Mercaptoethanol, SAJ special grade, >=99.0%
A832651
Q411084
InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H
Q-200296
3-Pyridinecarbonitrile, 4-methyl-2,6-di-5-morpholinyl-
F0001-1577
Z104473584
2-Mercaptoethanol, for HPLC derivatization, >=99.0% (GC)
2-Mercaptoethanol, BioUltra, for molecular biology, >=99.0% (GC)
2-Mercaptoethanol, for molecular biology, for electrophoresis, suitable for cell culture, BioReagent, 99% (GC/titration)
Cuprate(6-), [.mu.-[[2,2'-[(1-methyl-1,2-ethanediyl)bis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-(hydroxy-.kappa.O)-5-sulfo-3,1-phenylene](2,1-diazenediyl
Microorganism:

Yes

IUPAC name2-sulfanylethanol
SMILESC(CS)O
InchiInChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
FormulaC2H6OS
PubChem ID1567
Molweight78.14
LogP-0.2
Atoms4
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols sulfur compounds thiols
CHEBI-ID41218
Supernatural-IDSN0065398

mVOC Specific Details

Boiling Point
DegreeReference
157 °C peer reviewed
Volatilization
The Henry's Law constant for 2-mercaptoehtanol is estimated as 1.8X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 1.76 mm Hg(1), and an assigned value for water solubility of 1.00X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2-mercaptoethanol is expected to be essentially nonvolatile from water surfaces(3). 2-Mercaptoethanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may not occur(SRC). 2-Mercaptoethanol is expected to volatilize from dry soil surfaces(SRC) based upon its extrapolated vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) O'Neil MJ, ed; The Merck Index. 13th ed Whitehouse Station, NJ: Merck and Co., Inc., p. 1050 (2001) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-mercaptoethanol can be estimated to be 1.3(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-mercaptoethanol is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.756 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
EukaryotaTuber Magnatumn/aItalian geographical areas (Piedmont, Molise)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSyes
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


Ethanethiol

Mass-Spectra

Compound Details

Synonymous names
Ethanethiol
ETHYL MERCAPTAN
75-08-1
Mercaptoethane
Ethyl sulfhydrate
Thioethanol
Ethyl thioalcohol
Thioethyl alcohol
Ethyl hydrosulfide
Aethylmercaptan
Etilmercaptano
Aethanethiol
Etantiolo
1-Mercaptoethane
Ethaanthiol
Ethylmercaptaan
Ethylmerkaptan
ethyl-mercaptan
Mercaptan C2
LPG ethyl mercaptan 1010
NSC 93877
stench
HSDB 814
stench gas
1-ethanethiol
EINECS 200-837-3
UNII-M439R54A1D
AI3-26618
M439R54A1D
NSC-93877
DTXSID9026394
FEMA NO. 4258
CHEBI:46511
EC 200-837-3
ETHANETHIOL (MART.)
ETHANETHIOL [MART.]
Etantiolo [Italian]
Ethaanthiol [Dutch]
Aethanethiol [German]
ethanthiol
ethylmercaptan
Ethylmerkaptan [Czech]
Ethylmercaptaan [Dutch]
Aethylmercaptan [German]
Etilmercaptano [Italian]
UN2363
ethanethioi
ethanethiolate
ethanothiol
ethane thiol
1-Ethylthiol
EtSH
HSEt
Ethanethiol, 97%
Ethanethiol, >=97%
ETHANETHIOL [MI]
ETHANETHIOL [FHFI]
C2H5SH
WLN: SH2
ETHYL MERCAPTAN [HSDB]
DTXCID506394
Ethanethiol, analytical standard
NSC93877
MFCD00004887
AKOS000120313
MCULE-5717309901
UN 2363
DB-004032
E0036
NS00005388
EN300-20602
InChI=1/C2H6S/c1-2-3/h3H,2H2,1H
Ethyl mercaptan [UN2363] [Flammable liquid]
Ethanethiol (ethyl mercaptan), analytical standard
Q407918
J-520442
F0001-1889
QuadraPure(R) DET, 450-650 mum, extent of labeling: 1.0-2.0 mmol/g loading, macroporous
EUF
Microorganism:

Yes

IUPAC nameethanethiol
SMILESCCS
InchiInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
FormulaC2H6S
PubChem ID6343
Molweight62.14
LogP0.9
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID46511
Supernatural-IDSN0070346

mVOC Specific Details

Boiling Point
DegreeReference
35.1 °C peer reviewed
Volatilization
The Henry's Law constant for ethyl mercaptan is 4.53X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that ethyl mercaptan is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.2 days(SRC). Ethyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethyl mercaptan is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 529 mm Hg(3).
Literature: (1) Vitenberg AG et al; J Chromat 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp. 4 vol (1989)
Soil Adsorption
The Koc of ethyl mercaptan is estimated as 22(SRC), using a water solubility of 1.56X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethyl mercaptan is expected to have very high mobility in soil.
Literature: (1) Wakita K et al; Chem Pharm Bull 34: 4463-81 (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
529 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


Furan-2-ylmethanethiol

Compound Details

Synonymous names
Furfuryl mercaptan
98-02-2
2-FURANMETHANETHIOL
2-Furylmethanethiol
furan-2-yl-methanethiol
Furfuryl thiol
furan-2-ylmethanethiol
2-Furylmethyl mercaptan
2-Furfurylmercaptan
Furfurylmercaptan
2-Furfurylthiol
2-(Mercaptomethyl)furan
175236-33-6
(2-Furanyl)methylmercaptan
USAF B-58
FEMA No. 2493
2-furanmethanthiol
2-mercaptomethylfuran
29W096TCPG
DTXSID7052654
NSC 41142-d2
MFCD00003254
NSC-41142
Furfuryl mercaptan (natural)
alpha-Furfuryl mercaptan
EINECS 202-628-2
NSC 41142
BRN 0383594
UNII-29W096TCPG
furylmethanethiol
AI3-36709
fufuryl mercaptan
furfuryl-mercaptan
2-furanylmethanethiol
2-Furfuryl mercaptan
2-furylmethylmercaptan
furanylmethyl mercaptan
uran-2-ylmethanethiol
starbld0016618
(furan-2-yl)methanethiol
.alpha.-Furfuryl mercaptan
WLN: T5OJ B1SH
2-Furanmethanethiol, 98%
5-17-03-00351 (Beilstein Handbook Reference)
SCHEMBL125084
CHEMBL3560314
DTXCID4031227
FURFURYL MERCAPTAN [FCC]
FEMA 2493
FURFURYL MERCAPTAN [FHFI]
CHEBI:166536
Furfuryl mercaptan, >=97%, FG
NSC41142
Tox21_303886
STK802294
AKOS000119240
2-Furanmethanethiol, analytical standard
CAS-98-02-2
Furfuryl mercaptan, natural, 98%, FG
NCGC00357144-01
LS-13041
DB-003671
F0077
NS00012489
EN300-19031
E78916
A845789
J-640072
Q-100003
Q5509474
F0001-2311
InChI=1/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H
19980-20-2
Microorganism:

Yes

IUPAC namefuran-2-ylmethanethiol
SMILESC1=COC(=C1)CS
InchiInChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
FormulaC5H6OS
PubChem ID7363
Molweight114.17
LogP1.3
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationthiols sulfur compounds furan derivatives ethers aromatic compounds
CHEBI-ID166536
Supernatural-IDSN0468798

mVOC Specific Details

Boiling Point
DegreeReference
263 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactobacillus PlantarumZhang et al. 2023
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactobacillus PlantarumHabanero pepperGC–IMSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


4-methylbenzenethiol

Mass-Spectra

Compound Details

Synonymous names
4-Methylbenzenethiol
p-Thiocresol
106-45-6
p-Toluenethiol
4-Methylthiophenol
4-THIOCRESOL
p-Methylthiophenol
p-Tolyl mercaptan
Benzenethiol, 4-methyl-
p-Tolylthiol
4-Toluenethiol
p-Thiolcresol
p-Mercaptotoluene
p-Methylbenzenethiol
p-Tolylthiophenol
Toluene-4-thiol
p-Methylphenyl mercaptan
4-Methylphenyl mercaptan
1-Mercapto-4-methylbenzene
4-Mercaptotoluene
4-Methyl-benzenethiol
USAF EK-510
4-methylbenzene-1-thiol
Thio-p-cresol
NSC 2227
p-Methylbenzenthiol
6L2WW9XYZO
DTXSID5048188
NSC-2227
NSC-229565
p-Methylphenylmercaptan
4-Methylphenylmercaptan
Toluene, 4-mercapto-
HSDB 2024
EINECS 203-399-1
UNII-6L2WW9XYZO
BRN 0605761
paratoluenethiol
rho-Thiocresol
AI3-09056
para-toluenethiol
4-mercapto-toluene
4-methylphenylthiol
4-methyl-thiophenol
4-methylthio-phenol
(4-methyl)thiophenol
4-methyl benzenethiol
4-methylbenzene thiol
4-methyl-1-thiophenol
P-METHYLPHENYLTHIOL
P-THIOCRESOL [MI]
4-METHYL THIOPHENOL
WLN: SHR D1
4-Methylbenzenethiol, 98%
SCHEMBL72612
4-THIOCRESOL [HSDB]
4-06-00-02153 (Beilstein Handbook Reference)
CHEMBL119359
DTXCID0028163
NSC2227
STR00880
Tox21_303614
MFCD00004851
NSC229565
AKOS000120273
MCULE-7745246721
PS-5132
NCGC00257443-01
BP-12556
CAS-106-45-6
PD168616
NS00023411
T0290
EN300-18298
J-001595
J-512887
Q18466653
F0001-0122
4-Methyl thiophenol;4-Methylthio phenol;4-methylbenzenethiol
InChI=1/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H
Microorganism:

Yes

IUPAC name4-methylbenzenethiol
SMILESCC1=CC=C(C=C1)S
InchiInChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
FormulaC7H8S
PubChem ID7811
Molweight124.21
LogP2.9
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids sulfur compounds thiols aromatic compounds
Supernatural-IDSN0413328

mVOC Specific Details

Boiling Point
DegreeReference
195 deg C @ 760 mm HgBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1591
Volatilization
The Henry's Law constant for 4-thiocresol is estimated as 3.6X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-thiocresol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life of the neutral species from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hrs(SRC). The volatilization half-life of the neutral species from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.2 days(SRC). A pKa of 6.82(3) for 4-thiocresol indicates that the anionic form of 4-thiocresol will exist in slightly acidic to basic waters and the anionic form is not expected to volatilize from water(SRC). 4-Thiocresol's Henry's Law constant(1) indicates that volatilization of the neutral species from moist soil surfaces may occur(SRC). However, 4-thiocresol in the anionic form is not expected to volatilize. 4-Thiocresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.807 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23. NY, NY: Pergamon Press, Inc. p. 279 (1979) (4) Dykyj J, Repas M; Petrochemia 18: 179-98 (1973)
Solubility
Insol in water; sol in alcohol, ether
Literature: Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1591
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 4-thiocresol can be estimated to be 430(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-thiocresol is expected to have moderate mobility in soil. The pKa of 4-thiocresol is 6.82(3) indicating that the anionic form of 4-thiocresol will exist in slightly acidic to basic soils and anions are expected to have higher mobility than the neutral species(SRC). Volatilization from moist soil surfaces is not expected to be an important fate process for the anionic species.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23. NY, NY: Pergamon Press, Inc. p. 279 (1979)
Vapor Pressure
PressureReference
0.807 mm Hg @ 25 deg CDykyj J, Repas M; Petrochemia 18: 179-98 (1973)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCarnobacterium Divergensn/an/ano


Propane-1-thiol

Mass-Spectra

Compound Details

Synonymous names
1-Propanethiol
Propane-1-thiol
Propanethiol
107-03-9
PROPYL MERCAPTAN
n-Propylmercaptan
n-Propyl mercaptan
n-Propylthiol
1-Mercaptopropane
1-Propylmercaptan
Propylthiol
1-Propyl mercaptan
Thiopropyl alcohol
n-Thiopropyl alcohol
1-propylthiol
Mercaptan C3
FEMA No. 3521
79869-58-2
n-C3H7SH
4AB0N08V2H
CHEBI:8473
MFCD00004900
propylmercaptan
n-propanethiol
propan-1-thiol
CCRIS 1246
HSDB 1037
propanethiol, sodium salt
EINECS 203-455-5
BRN 1696860
propanthiol
UNII-4AB0N08V2H
Propanethiols
propane thiol
propyl thiol
1-propanthiol
1-Propanethoil
1-propane thiol
1-propyl thiol
n-PrSH
1-Propanethiol, 99%
51285-52-0
Propyl mercaptan, >=97%
3-Mercaptopropyl Silica Gel
4-01-00-01449 (Beilstein Handbook Reference)
PROPYL MERCAPTAN [FCC]
PROPYL MERCAPTAN [FHFI]
PROPYL MERCAPTAN [HSDB]
CHEMBL1236818
DTXSID5026750
FEMA 3521
DTXSID30198121
Propyl mercaptan, analytical standard
AKOS000121933
MCULE-8267649092
1-Propanethiol, natural, >=98%, FG
M1979
NS00020137
P0488
Propanethiols [UN2402] [Flammable liquid]
EN300-31221
C08390
A801560
Q161679
InChI=1/C3H8S/c1-2-3-4/h4H,2-3H2,1H
J-001693
F8880-8482
Microorganism:

Yes

IUPAC namepropane-1-thiol
SMILESCCCS
InchiInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
FormulaC3H8S
PubChem ID7848
Molweight76.16
LogP1.8
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID8473
Supernatural-IDSN0355954

mVOC Specific Details

Boiling Point
DegreeReference
67.8 °C peer reviewed
Volatilization
The Henry's Law constant for propyl mercaptan is 4.08X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that propyl mercaptan is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.5 days(SRC). Propyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Propyl mercaptan is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 154 mm Hg(3).
Literature: (1) Przyjazny A et al; J Chromatog 280: 249-260 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp. 4 vol (1989)
Soil Adsorption
The Koc of propyl mercaptan is estimated as 230(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propyl mercaptan is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 7 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
154.2 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
Lactobacillus PlantarumHabanero pepperGC–IMSno


Butane-1-thiol

Mass-Spectra

Compound Details

Synonymous names
1-Butanethiol
Butanethiol
butane-1-thiol
109-79-5
BUTYL MERCAPTAN
n-Butyl mercaptan
n-Butanethiol
Butylthiol
Thiobutyl alcohol
n-Butylmercaptan
1-Mercaptobutane
1-Butyl mercaptan
butylmercaptan
n-Butyl thioalcohol
n-Butylthiol
Bear skunk
Normal butyl thioalcohol
Mercaptan C4
FEMA No. 3478
NCI-C60866
n-C4H9SH
DTXSID6026824
77OY909F30
Caswell No. 119D
n-butane-1-thiol
HSDB 290
EINECS 203-705-3
EPA Pesticide Chemical Code 125001
BRN 1730908
butane thiol
n-butanthiol
n-butyl mercaptan, sodium salt
AI3-22954
4-butanethiol
1-butylthiol
butyl thioalcohol
1-butylmercaptan
n-butyl mercaptan, lithium salt
UNII-77OY909F30
n-butyl mercaptan, Ag(+1) salt
n-butyl mercaptan, potassium salt
n-butyl mercaptan, tin (+2) salt
n-BuSH
n-butyl mercaptan, lead (+2) salt
MFCD00004905
BUSH
n-butyl mercaptan, copper (+1) salt
n-butyl mercaptan, silver (+2) salt
n-butyl mercaptan, geranium (+2) salt
n-butyl mercaptan, molybdenum (+3) salt
1-Butanethiol, 99%
32812-85-4
BUTYLMERCAPTAN, N-
n-butyl mercaptan, 14C,1-(35)S-labeled cpd
1-Butanethiol, >=98%
4-01-00-01555 (Beilstein Handbook Reference)
1-BUTANETHIOL [FHFI]
n-butyl mercaptan, 2-(14)C,2-(35)s-labeled cpd
DTXCID406824
N-BUTYL MERCAPTAN [MI]
CHEMBL3188256
n-butyl mercaptan, 1,2-(14)C,2-(35) S-labeled cpd
FEMA 3478
1-BUTYL MERCAPTAN [HSDB]
CHEBI:177389
1-Butanethiol, analytical standard
Tox21_200811
AKOS009031443
NCGC00248839-01
NCGC00258365-01
CAS-109-79-5
1-Butanethiol, purum, >=97.0% (GC)
DB-003605
B0685
NS00020726
EN300-19345
A802088
Q195823
J-002332
InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H
Microorganism:

Yes

IUPAC namebutane-1-thiol
SMILESCCCCS
InchiInChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
FormulaC4H10S
PubChem ID8012
Molweight90.19
LogP2.3
Atoms5
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID177389
Supernatural-IDSN0416934

mVOC Specific Details

Boiling Point
DegreeReference
97.2 °C peer reviewed
Volatilization
The Henry's Law constant for 1-butyl mercaptan is 4.54X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1-butyl mercaptan is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4 days(SRC). 1-Butyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Butyl mercaptan is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 45.5 mm Hg(3).
Literature: (1) Przyjazny A et al; J Chromatog 280: 249-260 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 1 - C1 to C4 compounds. Houston, TX: Gulf Pub Co. pp. 347 (1994)
Soil Adsorption
The Koc of 1-butyl mercaptan is estimated as 410(SRC), using a log Kow of 2.28(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-butyl mercaptan is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
45.5 mm Hg at 25 deg CYaws CL; In: Handbook of Vapor Pressure. Volume 1 - C1 to C4 Compounds. Gulf Publishing Co.: Houston, TX (1994)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


Prop-2-ene-1-thiol

Compound Details

Synonymous names
ALLYL MERCAPTAN
2-Propene-1-thiol
870-23-5
prop-2-ene-1-thiol
Allylthiol
Allylmercaptan
Allyl sulfhydrate
FEMA No. 2035
2-Propenyl mercaptan
2-Propenyl-1-thiol
CH2=CHCH2SH
CHEBI:89888
1X587IBY09
NSC-6744
allyl thiol
UNII-1X587IBY09
allyl thioalcohol
3-Mercaptopropene
NSC 6744
EINECS 212-792-7
MFCD00004894
AI3-23286
Allyl mercaptan, >=70%
Allyl mercaptan, >=90%
Allyl Mercaptan (>75%)
1-PROPENE-3-THIOL
ALLYL MERCAPTAN [FHFI]
CHEMBL3222024
DTXSID2061226
FEMA 2035
ULIKDJVNUXNQHS-UHFFFAOYSA-
NSC6744
AKOS000120943
DB-003583
A0777
NS00022848
2-Propene-1-thiol, technical, ~60% (GC)
D88323
A841917
InChI=1/C3H6S/c1-2-3-4/h2,4H,1,3H2
Q25104273
Microorganism:

No

IUPAC nameprop-2-ene-1-thiol
SMILESC=CCS
InchiInChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
FormulaC3H6S
PubChem ID13367
Molweight74.15
LogP1.2
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID59723
Supernatural-IDSN0373494

mVOC Specific Details

Boiling Point
DegreeReference
65 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSno
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSno


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


2-methylfuran-3-thiol

Mass-Spectra

Compound Details

Synonymous names
2-Methyl-3-furanthiol
28588-74-1
2-Methylfuran-3-thiol
3-FURANTHIOL, 2-METHYL-
2-methyl-3-furanethiol
2-Methyl-3-mercaptofuran
2-Methyl-3-furylthiol
2-Methyl-3-furylmercaptan
3-Mercapto-2-methylfuran
2-methyl-furan-3-thiol
FEMA No. 3188
2-methyl-3-sulfanylfuran
2-methyl-3-mercapto-furan
2-Methyl, 3-furanethiol
Furan-3-thiol, 2-methyl
DTXSID5047118
N21RW1N179
Oxycyclothione 030
EINECS 249-094-7
UNII-N21RW1N179
methyl furanthiol
MFCD00010280
2-methyluran-3-thiol
2-methyl-3-furan thiol
SCHEMBL691744
CHEMBL3188696
DTXCID3027118
FEMA 3188
2-Methyl-3-furanthiol (90%)
CHEBI:167074
METHYL-3-FURANTHIOL, 2-
Tox21_302709
2-Methyl-3-furanthiol, 95%, FG
2-Methyl-3-furanthiol (90per cent)
AKOS015897434
2-METHYL-3-FURYLTHIOL [FHFI]
CS-W011245
SB60941
2-Methyl-3-furanthiol, technical grade
NCGC00256792-01
AS-47693
CAS-28588-74-1
DB-021329
M1847
NS00012894
EN300-126929
F15479
Q-100360
Q27284403
Microorganism:

Yes

IUPAC name2-methylfuran-3-thiol
SMILESCC1=C(C=CO1)S
InchiInChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
FormulaC5H6OS
PubChem ID34286
Molweight114.17
LogP1.5
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds ethers furan derivatives heterocyclic compounds sulfur compounds thiols
CHEBI-ID167074
Supernatural-IDSN0335963

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

Compound Details

Synonymous names
Glycol dimercaptoacetate
123-81-9
Ethylene mercaptoacetate
GDMA
Ethylene glycol bisthioglycolate
Glycoldimercaptoacetate
Ethylenebis(thioglycolate)
Glycol bis(mercaptoacetate)
Ethylene bis(mercaptoacetate)
Ethylene glycol bis(mercaptoacetate)
Ethylene glycol bis(thioglycolic ester)
Ethylene glycol bis(thioglycolate)
ACETIC ACID, MERCAPTO-, 1,2-ETHANEDIYL ESTER
2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
Acetic acid, mercapto-, ethylene ester
2-[(2-sulfanylacetyl)oxy]ethyl 2-sulfanylacetate
Ethylene Bis(thioglycolate) (Purified)
DTXSID0044527
Ethane-1,2-diyl bis(sulfanylacetate)
Ethylene bis(thioglycolate)
Ethylene di(S-thioacetate)
68865-56-5
EINECS 204-653-4
NSC 30032
BRN 1948305
AI3-26087
SCHEMBL59459
Ethyleneglycol bis-thioglycolate
CHEMBL3186931
DTXCID8024527
NSC30032
Tox21_302245
MFCD00004875
NSC-30032
AKOS015897596
Ethylene glycol bisthioglycolate, 96%
ethane-1,2-diyl bis(2-mercaptoacetate)
NCGC00255777-01
AS-17773
CAS-123-81-9
E1333
NS00020142
D90616
EN300-333266
F0001-0369
Microorganism:

Yes

IUPAC name2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
SMILESC(COC(=O)CS)OC(=O)CS
InchiInChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
FormulaC6H10O4S2
PubChem ID61059
Molweight210.3
LogP0.6
Atoms12
Bonds7
H-bond Acceptor6
H-bond Donor2
Chemical Classificationthiols esters sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


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


4-methyl-4-sulfanylpentan-2-one

Mass-Spectra

Compound Details

Synonymous names
19872-52-7
4-Mercapto-4-methyl-2-pentanone
4-Mercapto-4-methylpentan-2-one
2-Pentanone, 4-mercapto-4-methyl-
4-methyl-4-sulfanylpentan-2-one
4-methyl-4-mercapto-2-pentanone
4-Methyl-4-mercaptopentan-2-one
4-Methyl-4-thiolpentan-2-one
4-Methyl-4-sulfanyl-2-pentanone
4-Sulfanyl-4-methylpentan-2-one
4-Sulphanyl-4-methylpentan-2-one
4-Methyl-4-mercapto-pentan-2-one
9524RG5ZQL
4-Mercapto-4-methyl-pentan-2-one
EINECS 243-386-8
UNII-9524RG5ZQL
4-MMP
SCHEMBL869584
FEMA3997
DTXSID8051839
FEMA NO. 3997
CHEBI:77856
LMFA12000335
MFCD00085208
AKOS006283682
2-MERCAPTO-2-METHYLPENTAN-4-ONE
AS-17349
DB-006870
M3271
NS00019881
4-methyl-4-mercaptopentan-2-one, AldrichCPR
D95275
4-MERCAPTO-4-METHYL-2-PENTANONE [FHFI]
A925051
J-012835
Q27147464
Microorganism:

No

IUPAC name4-methyl-4-sulfanylpentan-2-one
SMILESCC(=O)CC(C)(C)S
InchiInChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
FormulaC6H12OS
PubChem ID88290
Molweight132.23
LogP0.8
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationketones sulfur compounds thiols
CHEBI-ID77856
Supernatural-IDSN0313300

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/an/ano


2-ethylhexane-1-thiol

Mass-Spectra

Compound Details

Synonymous names
2-Ethyl-1-hexanethiol
2-Ethylhexanethiol
7341-17-5
2-Ethylhexane-1-thiol
1-Hexanethiol, 2-ethyl-
2-Ethylhexylmercaptan
9M9TA4S7BL
2-Ethylhexyl Mercaptan
UNII-9M9TA4S7BL
EINECS 230-854-1
2-(Mercaptomethyl)heptane
2-Ethylhexanethiol, 97%
SCHEMBL186018
FEMA NO. 3833
FEMA 3833
DTXSID80864041
2-ETHYLHEXANETHIOL [FHFI]
CHEBI:167084
(+/-)-2-ETHYLHEXANETHIOL
MFCD00039654
AKOS024257631
2-ETHYLHEXANETHIOL, (+/-)-
BS-42245
DB-055760
E1031
NS00043726
D90586
EN300-7083056
W-104452
Q27272737
Microorganism:

No

IUPAC name2-ethylhexane-1-thiol
SMILESCCCCC(CC)CS
InchiInChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
FormulaC8H18S
PubChem ID110968
Molweight146.3
LogP4
Atoms9
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID167084
Supernatural-IDSN0366647

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Umbria)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


4-methylsulfanylbenzenethiol

Compound Details

Synonymous names
4-(Methylthio)thiophenol
1122-97-0
4-methylsulfanylbenzenethiol
4-(Methylthio)benzenethiol
4-Methylthio thiophenol
4-Methylthiothiophenol
4-(Methylsulfanyl)thiophenol
4-(Methylsulfanyl)benzenethiol
4-Mercaptothioanisole
p-methylthiothiophenol
4-methylthio-thiophenol
4-Methylthiobenzenethiol
4-(Methylthio)-benzenethiol
4-methylsulfanyl-benzenethiol
SCHEMBL487511
KYMOWQQIZINTJZ-UHFFFAOYSA-
4-(Methylsulfanyl)benzenethiol #
DTXSID90149957
4-(methylsulfanyl)benzene-1-thiol
4-(Methylsulfanyl)thiophenol, 96%
MFCD00082770
AKOS015897626
MCULE-2638058459
AS-58229
BP-10916
CS-0204666
M1823
D91535
A802546
J-002745
J-513780
InChI=1/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Microorganism:

Yes

IUPAC name4-methylsulfanylbenzenethiol
SMILESCSC1=CC=C(C=C1)S
InchiInChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
FormulaC7H8S2
PubChem ID136896
Molweight156.3
LogP2.6
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds thioethers sulfur compounds sulfides benzenoids thiols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno


2-methoxy-5-methylthiophene

Compound Details

Synonymous names
2-Methoxy-5-methylthiophene
Thiophene, 2-methoxy-5-methyl-
31053-55-1
SCHEMBL434813
2-Methoxy-5-methylthiophene #
DTXSID50185013
RULFUZCLYMDADI-UHFFFAOYSA-N
DA-07074
Microorganism:

Yes

IUPAC name2-methoxy-5-methylthiophene
SMILESCC1=CC=C(S1)OC
InchiInChI=1S/C6H8OS/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
FormulaC6H8OS
PubChem ID141615
Molweight128.19
LogP2.3
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds ethers heterocyclic compounds sulfur compounds thiols

mVOC Specific Details


Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaPseudomonas AeruginosaMOPS glucose+EZSPME, GC-MSno
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
ProkaryotaRhodococcus ErythropolisTSASPME, GC-MSno
ProkaryotaStaphylococcus EpidermidisTSASPME, GC-MSno


3-methylbut-2-ene-1-thiol

Mass-Spectra

Compound Details

Synonymous names
5287-45-6
3-Methyl-2-butene-1-thiol
Prenylthiol
3-methylbut-2-ene-1-thiol
3-methyl-2-buten-1-thiol
Prenyl mercaptan
2-Butene-1-thiol, 3-methyl-
1-Mercapto-3-methyl-2-butene
3-methyl-2-butenethiol
3-Methyl-but-2-ene-1-thiol
FDG262156U
UNII-FDG262156U
3-Methyl-1-mercapto-2-butene
3-Methyl-2-buten-1-thiol, Preparation Kit
Dimethylallyl mercaptan
3-Methyl-2-buten-1-thiol Preparation Kit
PRENYLTHIOL [FHFI]
SCHEMBL129358
4-Mercapto-2-methyl-2-butene
FEMA NO. 3896
FEMA 3896
DTXSID00200907
CHEBI:169260
AKOS015897449
BS-53269
CS-0237774
M1054
NS00022299
EN300-186888
3-Methyl-2-butene-1-thiol (isopentenylmercaptan)
A829289
Q223098
Microorganism:

Yes

IUPAC name3-methylbut-2-ene-1-thiol
SMILESCC(=CCS)C
InchiInChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
FormulaC5H10S
PubChem ID146586
Molweight102.2
LogP2
Atoms6
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationthiols sulfur compounds
CHEBI-ID169260
Supernatural-IDSN0118473

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


2,4,6-trimethylbenzenethiol

Compound Details

Synonymous names
2,4,6-TRIMETHYLTHIOPHENOL
1541-10-2
2,4,6-Trimethylbenzenethiol
2,4,6-trimethylbenzene-1-thiol
Benzenethiol,2,4,6-trimethyl-
2,4,6-trimethyl thiophenol
2,4,6-trimethyl-thiophenol
SCHEMBL1183272
DTXSID80300979
HMS1789D08
2,4,6-trimethyl-benzene-1-thiol
MFCD00218475
AKOS001079486
MCULE-1154438241
BP-10625
BS-53312
DB-043214
CS-0196820
E78144
J-507083
Z56347178
1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylicacid
Microorganism:

No

IUPAC name2,4,6-trimethylbenzenethiol
SMILESCC1=CC(=C(C(=C1)C)S)C
InchiInChI=1S/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
FormulaC9H12S
PubChem ID284449
Molweight152.26
LogP3.2
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids sulfur compounds thiols aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Tuscany)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


2,4-ditert-butylbenzenethiol

Compound Details

Synonymous names
2,4-Di-tert-butylthiophenol
19728-43-9
2,4-Ditert-butylbenzenethiol
2,4-di-t-butylthiophenol
SCHEMBL7086864
2,4-Ditert-butylbenzenethiol #
DTXSID40334114
ACJAQOIIEMFTGS-UHFFFAOYSA-N
2,4-DI-TERT-BUTYLBENZENETHIOL
Microorganism:

Yes

IUPAC name2,4-ditert-butylbenzenethiol
SMILESCC(C)(C)C1=CC(=C(C=C1)S)C(C)(C)C
InchiInChI=1S/C14H22S/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
FormulaC14H22S
PubChem ID519681
Molweight222.39
LogP5.4
Atoms15
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids sulfur compounds thiols aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNAGao et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno


1-sulfanylpropan-2-one

Compound Details

Synonymous names
1-Mercapto-2-propanone
1-sulfanylpropan-2-one
Mercaptoacetone
24653-75-6
2-Propanone, 1-mercapto-
1-Sulfanylacetone
mercapto-2-propanone
UNII-YAZ3C89IVG
YAZ3C89IVG
2-Propanone, 1-mercapto- (8CI,9CI)
acetonylmercaptan
mercaptopropanone
Acetonyl mercaptan
2-Oxopropanethiol
2-PROPANONE, MERCAPTO-
3-MERCAPTO-2-PROPANONE
FEMA NO. 3856
CHEBI:89835
FEMA 3856
DTXSID50179396
AKOS006274406
1-MERCAPTO-2-PROPANONE [FHFI]
NS00125789
EN300-92052
Q27162020
Microorganism:

Yes

IUPAC name1-sulfanylpropan-2-one
SMILESCC(=O)CS
InchiInChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
FormulaC3H6OS
PubChem ID520144
Molweight90.15
LogP0.3
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationketones sulfur compounds thiols
CHEBI-ID89835
Supernatural-IDSN0379184

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
EukaryotaSchizophyllum CommuneNASchalchli et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
EukaryotaSchizophyllum Communeno