Results for:
Species: Treponema denticola

Methanethiol

Mass-Spectra

Compound Details

Synonymous names
Methylmercaptaan
Mercaptomethane
Metilmercaptano
methylsulfanium
Methylmercaptan
Methaanthiol
Thiomethanol
methanethiol
Methanethiole
Thiomethane
Mercaptan methylique
Methanthiol
Methvtiolo
(Mercaptomethyl)polystyrene
LSDPWZHWYPCBBB-UHFFFAOYSA-N
Methyl sulfhydrate
Thiomethyl alcohol
Methyl thioalcohol
METHYL MERCAPTAN
methyl-mercaptan
methane thiol
methyl thiol
methyl-thiol
Methanethiol, purum
CH3SH
Methanethiol-S-d
Mercaptan C1
Metilmercaptano [Italian]
Metilmercaptano [Spanish]
Methylmercaptaan [Dutch]
Methanthiol [German]
Methvtiolo [Italian]
Z22
Mercaptan methylique [French]
AC1L1A8B
Methaanthiol [Dutch]
Methyl mercaptan (natural)
UN1064
CTK2H7493
HSDB 813
HMDB03227
C00409
2X8406WW9I
RCRA waste number U153
OR332408
NSC229573
OR000105
OR164971
OR230018
OR230158
UN 1064
DTXSID5026382
Methanethiol, >=98.0%
LS-2938
CHEBI:16007
UNII-2X8406WW9I
Methanethiol, 98.0%
AN-23827
SC-46829
NSC-229573
AKOS009157032
RCRA waste no. U153
BRN 1696840
FEMA No. 2716
FT-0696326
74-93-1
EINECS 200-822-1
63933-47-1
17719-48-1
InChI=1/CH4S/c1-2/h2H,1H
Methyl mercaptan [UN1064] [Poison gas]
(Mercaptomethyl)polystyrene, extent of labeling: ~2.0 mmol/g S loading
5188-07-8 (hydrochloride salt)
Methyl mercaptan [UN1064] [Poison gas]
4-01-00-01273 (Beilstein Handbook Reference)
21094-80-4 (mercury(2+) salt)
35029-96-0 (lead(2+) salt)
IUPAC namemethanethiol
SMILESCS
InchiInChI=1S/CH4S/c1-2/h2H,1H3
FormulaCH4S
PubChem ID878
Molweight48.1
LogP0.84
Atoms6
Bonds5
H-bond Acceptor0
H-bond Donor1
Chemical ClassificationThiols sulfur compounds

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalisn/aSchulz and Dickschat, 2007
BacteriaAlpha Proteobacteria Groupn/aSchulz and Dickschat, 2007
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaCitrobacter Freundiin/aSchulz and Dickschat, 2007
BacteriaDesulfovibrio Acrylicusn/aSchulz and Dickschat, 2007
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaFusobacterium Nucleatumn/aSchulz and Dickschat, 2007
BacteriaGamma Proteobacterian/aSchulz and Dickschat, 2007
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaLactobacillus Brevisn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Hilgardiin/aSchulz and Dickschat, 2007
BacteriaLactobacillus Lactisn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Plantarumn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Sp.n/aSchulz and Dickschat, 2007
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaOenococcus Oenin/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaParasporobacterium Paucivoransn/aSchulz and Dickschat, 2007
BacteriaPorphyromonas Gingivalisn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaTreponema Denticolan/aSchulz and Dickschat, 2007
FungiCandida Tropicalisn/aBunge et al., 2008
FungiTuber Magnatumn/aItalian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2016
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
FungiSchizophyllum Communen/aStotzky and Schenk, 1976
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlpha Proteobacteria Groupn/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBrevibacterium Linensn/an/a
BacteriaCitrobacter Freundiin/an/a
BacteriaDesulfovibrio Acrylicusn/an/a
BacteriaEscherichia Colin/an/a
BacteriaFusobacterium Nucleatumn/an/a
BacteriaGamma Proteobacterian/an/a
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaLactobacillus Brevisn/an/a
BacteriaLactobacillus Hilgardiin/an/a
BacteriaLactobacillus Lactisn/an/a
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaOenococcus Oenin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaParasporobacterium Paucivoransn/an/a
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaTreponema Denticolan/an/a
FungiCandida Tropicalisn/an/a
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaKlebsiella Pneumoniae ATCC 13883LB GCxGC-TOF-MSno
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiSchizophyllum Communen/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS