Results for:
Species: Sphingomonas sp.

1H-indole

Mass-Spectra

Compound Details

Synonymous names
indole
1H-Indole
120-72-9
2,3-Benzopyrrole
Indol
1-Benzazole
Ketole
1-Azaindene
Benzopyrrole
2,3-Benzopyrole
Indole (natural)
Caswell No. 498B
1-Benzo(b)pyrrole
Indol [German]
FEMA No. 2593
CCRIS 4421
HSDB 599
EPA Pesticide Chemical Code 025000
1H-Benzo[b]pyrrole
Benzo[b]pyrrole
AI3-01540
NSC 1964
EINECS 204-420-7
MFCD00005607
UNII-8724FJW4M5
INDOLUM
DTXSID0020737
CHEBI:16881
8724FJW4M5
NSC-1964
CHEMBL15844
DTXCID40737
Indole 100 microg/mL in Acetonitrile
NCGC00167539-01
INDOLE (USP-RS)
INDOLE [USP-RS]
IND
CAS-120-72-9
benzazole
mono-indole
1-H-indole
Indole, 7
Indole (8CI)
Indole (white flake)
Indole, 98%
1H-Indole (9CI)
INDOLUM [HPUS]
INDOLE [FHFI]
INDOLE [HSDB]
INDOLE [FCC]
INDOLE [MI]
Indole, >=99%
SCHEMBL698
bmse000097
Indole, analytical standard
Indole, >=99%, FG
WLN: T56 BMJ
BIDD:GT0304
SCHEMBL940818
INDOLE BENZO-PYRROLE
SCHEMBL1921769
SCHEMBL9559244
AMY3411
NSC1964
185l
BCP27232
STR01201
Tox21_112536
Tox21_201677
Tox21_302937
BBL011739
BDBM50094702
s6358
STL163380
Indole, 3-Benzopyrrole, 1-benzazole
AKOS000119629
Tox21_112536_1
AT36838
CG-0501
CS-W001132
DB04532
HY-W001132
Indole, puriss., >=98.5% (GC)
MCULE-9442796928
NCGC00167539-02
NCGC00167539-03
NCGC00256348-01
NCGC00259226-01
BP-10563
DS-011308
I0021
NS00010849
EN300-18285
C00463
I-0800
I-0810
Q319541
SR-01000944736
SR-01000944736-1
Z57833933
F2190-0647
InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9
82451-55-6
Microorganism:

Yes

IUPAC name1H-indole
SMILESC1=CC=C2C(=C1)C=CN2
InchiInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
FormulaC8H7N
PubChem ID798
Molweight117.15
LogP2.1
Atoms9
Bonds0
H-bond Acceptor0
H-bond Donor1
Chemical Classificationaromatic compounds heterocyclic compounds nitrogen compounds
CHEBI-ID16881
Supernatural-IDSN0346338

mVOC Specific Details

Boiling Point
DegreeReference
254 °CPhysProp
253 deg C @ 762 mm Hg; 128-133 deg C @ 28 mm HgBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 851
Volatilization
The Henry's Law constant for indole is estimated as 5.3X10-7 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.0122 mm Hg(1), and water solubility, 3560 mg/l(2). This value indicates that indole will be essentially nonvolatile from water surfaces(3,SRC). Indole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces should not occur(SRC).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. HOuston,TX: Gulf Publ Co (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Ver 5. College of Pharmacy, University of Arizona - Tucson, AZ. PC Ver (1992) (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
A Koc of 187 was measured for indole on a synthetic soil consisting of 88-90% sand, 10% clay and 0-2% humic acid(1). The Koc of indole is estimated as approximately 350(SRC), using a measured log Kow of 2.14(2) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these Koc values suggest that indole has moderate mobility in soil(SRC).
Literature: (1) Rebhun M et al; Water Res 26: 79-84 (1992) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC. p. 6 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
0.0122 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. Gulf Publishing Co.: Houston, TX (1994)
MS-Links
MS-MS Spectrum 225355
MS-MS Spectrum 225356
MS-MS Spectrum 183055
MS-MS Spectrum 225360
MS-MS Spectrum 182706
MS-MS Spectrum 225361
MS-MS Spectrum 225351
MS-MS Spectrum 183056
MS-MS Spectrum 225354
MS-MS Spectrum 182708
MS-MS Spectrum 225353
MS-MS Spectrum 182707
MS-MS Spectrum 1047 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4590 - EI-B (MX-1303) Positive
MS-MS Spectrum 1049 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 225352
MS-MS Spectrum 225359
MS-MS Spectrum 225358
MS-MS Spectrum 225362
MS-MS Spectrum 1048 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4592 - EI-B (HITACHI M-68) Positive
MS-MS Spectrum 225357
MS-MS Spectrum 4593 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 4591 - EI-B (Unknown) Positive
MS-MS Spectrum 183054
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADolch et al. 2012
ProkaryotaPseudomonas AeruginosaNANADolch et al. 2012
ProkaryotaEscherichia ColiNANAKunze et al. 2013
ProkaryotaEscherichia ColiNANAZhu et al. 2010
ProkaryotaPseudomonas AeruginosaNANAZhu et al. 2010
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAhmed et al. 2023
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaEscherichia ColiChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaShigella FlexneriChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaEscherichia ColiNAKarami et al. 2017
EukaryotaHypoxylon InvadensNADickschat et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaHyphomonas Sp.swine wastewaterCho et al. 2019
ProkaryotaSphingomonas Sp.swine wastewaterCho et al. 2019
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
ProkaryotaLoktanella Sp.It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.NASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.NASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.NASchulz and Dickschat 2007
ProkaryotaEscherichia ColiIt is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.NASchulz and Dickschat 2007
ProkaryotaEscherichia ColiRegulation of expression of multi-drug exporter genes and inhibition of biofilm formation of Escherichia coli, Pseudomonas fluorescens and Pseudomonas aeruginosa.NARyan and Dow 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBurkholderia Anthinan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glathein/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Aeruginosan/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaKlebsiella Pneumoniaen/aNATait et al. 2014
ProkaryotaStaphylococcus Aureusn/aNATait et al. 2014
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaHaemophilus InfluenzaeclinicPreti et al. 2009
EukaryotaPuccinia PunctiformisNAConnick and French 1991
EukaryotaAspergillus ClavatusNASeifert and King 1982
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
ProkaryotaBacillus SubtilisNANALee et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBIMR-MSno
ProkaryotaPseudomonas AeruginosaLBIMR-MSno
ProkaryotaEscherichia ColiLBMCC-IMSno
ProkaryotaEscherichia ColiTSBSESI-MSno
ProkaryotaPseudomonas AeruginosaTSBSESI-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStreptococcus PneumoniaeBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiNBTD/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaShigella FlexneriTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
ProkaryotaHyphomonas Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaSphingomonas Sp.Luria-Bertani (LB)SPME, GC-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSyes
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaEscherichia ColiLB media, rocket lysate, spinach lysateHS-SPME/GC-MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
ProkaryotaBurkholderia AndropogonisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AnthinaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlatheiMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia Coli LB, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas AeruginosaLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Columnno
ProkaryotaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Columnno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
ProkaryotaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaPuccinia Punctiformisno
EukaryotaAspergillus Clavatusno
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Tetranitromethane

Compound Details

Synonymous names
TETRANITROMETHANE
509-14-8
Methane, tetranitro-
RCRA waste number P112
NCI-C55947
Tetranitromethane(Technical)
K1G7CKU98F
TNM
DTXSID5021334
CHEBI:82372
Tetan
NSC-16146
DTXCID201334
NSC 16146
CAS-509-14-8
CCRIS 2371
HSDB 852
EINECS 208-094-7
UN1510
RCRA waste no. P112
UNII-K1G7CKU98F
WLN: WNXNWNWNW
SCHEMBL71873
TETRANITROMETHANE [MI]
CHEMBL261663
TETRANITROMETHANE [HSDB]
TETRANITROMETHANE [IARC]
NSC16146
Tox21_202353
Tox21_302834
UN 1510
NCGC00091783-01
NCGC00091783-02
NCGC00091783-03
NCGC00256516-01
NCGC00259902-01
Tetranitromethane [UN1510] [Oxidizer]
DB-051865
NS00022261
C19300
Q412241
Microorganism:

Yes

IUPAC nametetranitromethane
SMILESC([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InchiInChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13
FormulaCN4O8
PubChem ID10509
Molweight196.03
LogP0.1
Atoms13
Bonds0
H-bond Acceptor8
H-bond Donor0
Chemical Classificationnitrogen compounds nitro compounds
CHEBI-ID82372

mVOC Specific Details

Boiling Point
DegreeReference
126 °C peer reviewed
Volatilization
The Henry's Law constant for tetranitromethane is estimated as 0.0024 atm-cu m/mole(SRC) derived from its vapor pressure, 8.42 mm Hg(1), and water solubility, 900 mg/L(2). This Henry's Law constant indicates that tetranitromethane 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 2 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 6 days(SRC). Tetranitromethane estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of tetranitromethane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of tetranitromethane is estimated as 100(SRC), using a water solubility of 900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tetranitromethane is expected to have high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingomonas Sp.swine wastewaterCho et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingomonas Sp.Luria-Bertani (LB)SPME, GC-MSno


Iodomethane

Mass-Spectra

Compound Details

Synonymous names
IODOMETHANE
Methyl iodide
74-88-4
Monoiodomethane
Methane, iodo-
Methyljodid
Jod-methan
Methyliodide
Methyl iodine
Methyljodide
Iodometano
Joodmethaan
Metylu jodek
Iodure de methyle
CH3I
Monoioduro di metile
Halon 10001
Methyliodid
iodo-methane
RCRA waste number U138
Monoiodmethan
Iodmethan
iodo methane
NSC 9366
DAT010ZJSR
IODOMETHANE-13C-D3
CHEBI:39282
NSC-9366
MFCD00001073
MEI
Joodmethaan [Dutch]
Iodometano [Italian]
Methyljodid [German]
Methyljodide [Dutch]
Jod-methan [German]
Metylu jodek [Polish]
Iodure de methyle [French]
CCRIS 395
Monoioduro di metile [Italian]
HSDB 1336
EINECS 200-819-5
UNII-DAT010ZJSR
UN2644
RCRA waste no. U138
iodmethane
iodometane
iodomethan
iodornethane
methiodide
methyliodine
carbon-iodine
mehyl iodide
methy iodide
metyl iodide
Methyl-iodide
meth-yl iodide
1-iodomethane
ICH3
EC 200-819-5
METHYL IODIDE [MI]
METHYL IODIDE [HSDB]
METHYL IODIDE [IARC]
WLN: I1
CHEMBL115849
DTXSID0024187
Iodomethane, ampule of 100 mg
DTXSID60167860
InChI=1/CH3I/c1-2/h1H
NSC9366
BCP26570
BBL034228
Iodomethane, for synthesis, 99.0%
STL281179
AKOS009031541
Methyl iodide [UN2644] [Poison]
MCULE-1718786667
UN 2644
Iodomethane, purum, >=99.0% (GC)
Iodomethane contains copper as stabilizer
BP-11384
Iodomethane, SAJ first grade, >=93.0%
Iodomethane, SAJ special grade, >=99.5%
I0060
NS00001340
C18448
Iodomethane, puriss., redist., >=99.5% (GC)
Q421729
F2190-0170
Iodomethane, contains copper as stabilizer, ReagentPlus(R), 99%
Iodomethane, contains copper as stabilizer, ReagentPlus(R), 99.5%
Iodomethane, 2000 mug/mL in methanol: water (4:1), analytical standard
Iodomethane, 2M soln. in tert-butyl methyl ether (stabilized with Cu)
Microorganism:

Yes

IUPAC nameiodomethane
SMILESCI
InchiInChI=1S/CH3I/c1-2/h1H3
FormulaCH3I
PubChem ID6328
Molweight141.939
LogP1.5
Atoms2
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds
CHEBI-ID39282

mVOC Specific Details

Boiling Point
DegreeReference
42.5 °C peer reviewed
Volatilization
The Henry's Law constant for methyl iodide is 0.00526 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that methyl iodide should 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 1.3 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 4.8 days(SRC). The Henry's Law constant in seawater of salinity 30.4 g dissolved inorganic matter/kg seawater was 0.00354 atm-cu m/mole at 20 deg C(4) indicating a lower volatization rate for methyl iodide in seawater(SRC). Dissipation of methyl iodide from open surface water was found to be primarily a result of volatilization(4). Experiments conducted under indoor conditions resulted in a first-order half-life of 29 hours under static conditions and 6.5 hours when stirred at low speed with a magnetic stirrer(5). After 6 days, less that 1% of the methyl iodide was detected as iodide ion. Methyl iodide's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Methyl iodide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 405 mm Hg at 25 deg C(3).
Literature: (1) Hunter-Smith RJ et al; Tellus Ser B B35: 170-6 (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) Boublik T et al; The Vapor Pressures of Pure Substances Amsterdam: Elsevier p. 51 (1984) (4) Moore RM et al; Chemosphere 30: 183- 91 (1995) (5) Gan J, Yates SR; J Agric Food Chem 44: 4001-8 (1996)
Literature: #Experiments were conducted to assess the volatilization loss of methyl iodide, applied at 30 cm, from 60-cm packed soil columns with different soils and under various soil surface conditions(1). In Greenfield sandy loam, the greatest cumulative loss occurred in nontarp applications, 94%, and the least in a high-barrier plastic tarp treatment, 75%. Volatilization losses with a polyethylene film was 90% and therefore this treatment was ineffective at preventing volatilization loss. Volatilization losses using a polyethylene film were significantly lower, 38% and 53%, from two soils high in organic matter and capable of rapidly degrading the chemical.
Literature: (1) Gan J et al; J Environ Qual 26: 1107-15 (1997)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl iodide can be estimated to be 14(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl iodide should have very high mobility in soil. The soil/water distribution coefficient of methyl iodide in various soils were (soil, Kd): Greenfield sandy loam, 0.09; Linne clay loam, 0.15; Carsetas loamy sand, 0.16; and potting mix, 0.55(3).
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) Gan J, Yates SR; J Agric Food Chem 44: 4001-8 (1996) (4) Gan J et al; J Environ Qual 26: 1107-15 (1997)
Vapor Pressure
PressureReference
4.05X10+2 mm Hg @ 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984., p. 51
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaRhizobium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaSphingomonas Sp.n/aNASchulz and Dickschat 2007
ProkaryotaVariovorax Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPseudomonas Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRhodococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRoseovarius Sp.n/aNASchulz and Dickschat 2007
ProkaryotaMethanobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaZoogloea Sp.n/aNASchulz and Dickschat 2007
ProkaryotaAlteromonas Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDeleya Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPhotobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPseudoalteromonas Sp.n/aNASchulz and Dickschat 2007
ProkaryotaShewanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaVibrio Sp.n/aNASchulz and Dickschat 2007
ProkaryotaMyxobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPlantibacter Sp.n/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaRhizobium Sp.n/an/ano
ProkaryotaSphingomonas Sp.n/an/ano
ProkaryotaVariovorax Sp.n/an/ano
ProkaryotaPseudomonas Sp.n/an/ano
ProkaryotaRhodococcus Sp.n/an/ano
ProkaryotaRoseovarius Sp.n/an/ano
ProkaryotaMethanobacterium Sp.n/an/ano
ProkaryotaZoogloea Sp.n/an/ano
ProkaryotaAlteromonas Sp.n/an/ano
ProkaryotaDeleya Sp.n/an/ano
ProkaryotaPhotobacterium Sp.n/an/ano
ProkaryotaPseudoalteromonas Sp.n/an/ano
ProkaryotaShewanella Sp.n/an/ano
ProkaryotaVibrio Sp.n/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaPlantibacter Sp.n/an/ano