Results for:
chemical Classification: azoles

1H-imidazol-5-ylmethanol

Compound Details

Synonymous names
822-55-9
IMIDAZOLE-4-METHANOL
(1H-Imidazol-4-yl)methanol
4-(Hydroxymethyl)imidazole
1H-Imidazole-4-methanol
1H-imidazol-5-ylmethanol
1H-Imidazol-4-ylmethanol
(3H-Imidazol-4-yl)-methanol
1H-Imidazole-5-methanol
(1H-imidazol-4-yl)-methanol
4-imidazolemethanol
4(5)-(Hydroxymethyl)imidazole
4(5)-Hydroxymethylimidazole
4-HYDROXYMETHYLIMIDAZOLE
(1H-imidazol-5-yl)methanol
CHEBI:28182
QD0132T507
1H-Imidazol-4-ylmethanol; 4-(Hydroxymethyl)imidazole; 4-Imidazolylmethanol; 4-Methylol-1H-imidazole
NSC-39016
4-hydroxymethyl imidazole hydrochloride
UNII-QD0132T507
MZ0
4-imidazole methanol
5-hydroxymethylimidazole
4-hydroxymethyl imidazole
4-Methylol-1H-imidazole
Lopac-H-1877
5-(hydroxymethyl)imidazole
4-IMIDAZOLYLMETHANOL
C05562
1H-imidazol-4-yl-methanol
Lopac0_000603
1H-Imidazol-4-ylmethanol #
(1H-Imidazol-4-yl)methanol,
4-(hydroxymethyl)-1H-imidazole
CHEMBL1397797
DTXSID40231619
IMIDAZOLE-4(OR 5)-METHANOL
MFCD00266718
AKOS005258761
AKOS015951052
4(5)-(Hydroxymethyl)imidazole, 97%
CCG-204692
MCULE-7372960664
PB24669
SDCCGSBI-0050585.P002
NCGC00015502-01
NCGC00015502-02
NCGC00015502-03
NCGC00015502-04
NCGC00015502-05
NCGC00093363-02
AC-23132
AM804377
AS-58725
PD034373
DB-032007
AM20090479
CS-0008531
EN300-50616
W10530
AB-131/25126047
Q-101887
Q-103115
Q27103551
Z234898057
Microorganism:

Yes

IUPAC name1H-imidazol-5-ylmethanol
SMILESC1=C(NC=N1)CO
InchiInChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
FormulaC4H6N2O
PubChem ID1745
Molweight98.1
LogP-0.8
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds imidazoles heterocyclic compounds alcohols nitrogen compounds
CHEBI-ID28182

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno


2H-benzotriazole

Mass-Spectra

Compound Details

Synonymous names
1H-Benzotriazole
Benzotriazole
95-14-7
1,2,3-BENZOTRIAZOLE
1H-Benzo[d][1,2,3]triazole
2H-Benzotriazole
Azimidobenzene
1H-1,2,3-Benzotriazole
Aziminobenzene
Benztriazole
Benzisotriazole
Benzene azimide
Cobratec #99
2,3-Diazaindole
1,2-Aminoazophenylene
1,2,3-Triazaindene
2H-benzo[d][1,2,3]triazole
Cobratec 99
273-02-9
1,2,-Aminozophenylene
1,2,3-Triaza-1H-indene
Cobratec 35G
NSC-3058
1,2,3-1h-benzotriazole
Verzone Crystal
NCI-C03521
Kemitec TT
Rusmin R
Seetec BT
CCRIS 78
27556-51-0
DTXSID6020147
U-6233
CHEBI:75331
HSDB 4143
EINECS 202-394-1
UNII-86110UXM5Y
BRN 0112133
AI3-15984
86110UXM5Y
MFCD00005699
DTXCID00147
EC 202-394-1
4-26-00-00093 (Beilstein Handbook Reference)
1H-Benzotriazol
Benzotriazole (VAN)
Entek
BtaH
CAS-95-14-7
Pseudoazimidobenzene
Irgastab I 489
1,2,3-Benzotriazole,1H-benzo[d][1,2,3]triazole
azaindazole
benzotriazol
ISK 3
aza-indazole
3uzj
1 h-benzotriazole
1,3-Triazaindene
0CT
1,3-Benzotriazole
Cobratec No. 99
1,2-Aminozophenylene
1,2,3-Benztriazole
1H-1,3-Benzotriazole
1,3-Triaza-1H-indene
1H-Benzotriazole (VAN8C
WLN: T56 BMNNJ
SCHEMBL8956
1H-BT
BENZOTRIAZOLE [INCI]
MLS002302971
CHEMBL84963
1H-benzo-[1,2,3]triazole
D 32-108
1H-BENZOTRIAZOLE [MI]
BDBM36293
NSC3058
Benzotriazole, analytical standard
HMS3091M10
AMY37120
Benzotriazole, reagent grade, 97%
CS-D1407
HY-Y0688
STR01561
Tox21_201501
Tox21_302934
BDBM50234613
STL281967
Benzotriazole, ReagentPlus(R), 99%
1,2,3-BENZOTRIAZOLE [HSDB]
1H-Benzotriazole, >=98.0% (N)
4-HYDROXY-2-METHOXYBENZYLAMINE
AKOS000119181
AKOS025396849
MCULE-2848618742
PS-3644
NCGC00091322-01
NCGC00091322-02
NCGC00091322-03
NCGC00256574-01
NCGC00259052-01
BP-21454
SMR001252218
DB-022595
B0094
NS00010261
Benzotriazole, Vetec(TM) reagent grade, 98%
EN300-17964
D77352
AB00374479-06
AC-907/34124039
Q220672
W-100172
Z57127352
F2190-0645
InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9
BTR
Microorganism:

Yes

IUPAC name2H-benzotriazole
SMILESC1=CC2=NNN=C2C=C1
InchiInChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
FormulaC6H5N3
PubChem ID7220
Molweight119.12
LogP1
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationnitrogen compounds benzenoids heterocyclic compounds aromatic compounds triazoles
CHEBI-ID75331
Supernatural-IDSN0313470

mVOC Specific Details

Boiling Point
DegreeReference
204 °C peer reviewed
Volatilization
The Henry's Law constant for 1,2,3- benzotriazole is estimated as 3.2X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 0.04 mm Hg(1), and water solubility, 19,800 mg/l(1). This Henry's Law constant indicates that 1,2,3-benzotriazole is expected to be essentially nonvolatile from water surfaces(2). 1,2,3-Benzotriazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1). The pKa of benzotriazole is 8.37(3), indicating that this compound will exist in the cation form in the environment. Volatilization from dry or moist soil surfaces is not expected to be an important fate process because the cation is not expected to volatilize.
Literature: (1) Davis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. Washington, DC: USEPA-560/ 2-77-001 (1977) (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 EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)
Soil Adsorption
The Koc of 1,2,3-benzotriazole is estimated as 145(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggests that 1,2,3- benzotriazole is expected to have high mobility in soil. However, mobility of 1,2,3-benzotriazole will be affected by pH(2): the pKa of benzotriazole is 8.37(4), indicating that this compound will exist in the cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.
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. 18 (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) (4) Serjeant EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)
Vapor Pressure
PressureReference
4.0X01-2 mm Hg @ 20 deg CDavis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. USEPA-560/2-77-001. Washington, DC: US EPA (1977)
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Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Sp.n/aNABlom et al. 2011
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaBurkholderia Anthinan/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaPseudomonas Aeruginosan/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBacillus CereusRhizosphereBlom et al. 2011
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Sp.LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AnthinaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VP 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 PhenaziniumLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhytofirmansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisLB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas AeruginosaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus CereusLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaBurkholderia CepaciaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes


1,3-benzothiazole

Mass-Spectra

Compound Details

Synonymous names
BENZOTHIAZOLE
95-16-9
BENZO[D]THIAZOLE
1,3-Benzothiazole
Benzosulfonazole
1-Thia-3-azaindene
Vangard BT
benzothiazol
USAF EK-4812
FEMA No. 3256
CHEBI:45993
O-2857
MFCD00005775
G5BW2593EP
DTXSID7024586
NSC-8040
BT
DTXCID204586
benzthiazole
FEMA Number 3256
CAS-95-16-9
CCRIS 7893
HSDB 2796
NSC 8040
EINECS 202-396-2
BRN 0109468
UNII-G5BW2593EP
s-benzothiazole
AI3-05742
Benzothiazole, 96%
1,3-Benzothiazole #
BENZOTHIAZOLE [MI]
Epitope ID:138946
EC 202-396-2
SCHEMBL8430
BENZOTHIAZOLE [FHFI]
BENZOTHIAZOLE [HSDB]
WLN: T56 BN DSJ
4-27-00-01069 (Beilstein Handbook Reference)
MLS001050134
Benzothiazole, >=96%, FG
CHEMBL510309
SCHEMBL9304593
NSC8040
Benzothiazole, analytical standard
AMY23315
Tox21_201853
Tox21_303232
BDBM50444460
LT0034
STL268890
AKOS000120178
AC-3297
CS-W013350
FS-4155
HY-W012634
MCULE-5257468117
NCGC00091399-01
NCGC00091399-02
NCGC00257070-01
NCGC00259402-01
BOT
SMR001216577
DB-057562
B0092
NS00000291
Benzothiazole, Vetec(TM) reagent grade, 96%
EN300-19148
D77749
AC-907/25014160
Q419096
Q-100900
F0001-2268
Z104472964
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5
Microorganism:

Yes

IUPAC name1,3-benzothiazole
SMILESC1=CC=C2C(=C1)N=CS2
InchiInChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
FormulaC7H5NS
PubChem ID7222
Molweight135.19
LogP2
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds benzenoids heterocyclic compounds thiazoles aromatic compounds sulfur compounds
CHEBI-ID45993
Supernatural-IDSN0150933

mVOC Specific Details

Boiling Point
DegreeReference
227-228 DEG C AT 765 MM HGBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 186
Volatilization
The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). 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) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
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)
Soil Adsorption
The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (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: 23 (1983)
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-AN124202
Massbank Spectrum MSBNK-Antwerp_Univ-AN124204
Massbank Spectrum MSBNK-Antwerp_Univ-AN124208
Massbank Spectrum MSBNK-Athens_Univ-AU405606
Massbank Spectrum MSBNK-Athens_Univ-AU405608
Massbank Spectrum MSBNK-BAFG-CSL2311108601
Massbank Spectrum MSBNK-BAFG-CSL2311108602
Massbank Spectrum MSBNK-BAFG-CSL2311108603
Massbank Spectrum MSBNK-BAFG-CSL2311108604
Massbank Spectrum MSBNK-BAFG-CSL2311108605
Massbank Spectrum MSBNK-CASMI_2016-SM882102
Massbank Spectrum MSBNK-Eawag-EA034302
Massbank Spectrum MSBNK-Eawag-EA034303
Massbank Spectrum MSBNK-Eawag-EA034304
Massbank Spectrum MSBNK-Eawag-EA034305
Massbank Spectrum MSBNK-Eawag-EA034306
Massbank Spectrum MSBNK-Eawag-EA034307
Massbank Spectrum MSBNK-Eawag-EA034308
Massbank Spectrum MSBNK-Eawag-EA034309
Massbank Spectrum MSBNK-Eawag-EA034310
Massbank Spectrum MSBNK-Eawag-EA034311
Massbank Spectrum MSBNK-Eawag-EA034312
Massbank Spectrum MSBNK-Eawag-EA034313
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000473
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008217
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012060
Massbank Spectrum MSBNK-UFZ-UF420801
Massbank Spectrum MSBNK-UFZ-UF420802
Massbank Spectrum MSBNK-UFZ-UF420803
Massbank Spectrum MSBNK-UFZ-WANA042101AD6CPH
Massbank Spectrum MSBNK-UFZ-WANA042103B085PH
Massbank Spectrum MSBNK-UFZ-WANA042105070APH
Massbank Spectrum MSBNK-UFZ-WANA042111C9CFPH
Massbank Spectrum MSBNK-UFZ-WANA042113D9F1PH
Massbank Spectrum MSBNK-UFZ-WANA0421155BE0PH
Massbank Spectrum MSBNK-UFZ-WANA0421213166PH
Massbank Spectrum MSBNK-UFZ-WANA0421237762PH
Massbank Spectrum MSBNK-UFZ-WANA042125AF82PH

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas MaltophiliaNANAKaeslin et al. 2021
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaBacillus SubtilisNAGao et al. 2018
ProkaryotaBacillus Velezensistoxic effects on fungal mycelial growthmaize seedMassawe et al. 2018
ProkaryotaBacillus Muralisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaNovosphingobium Lindaniclasticumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Megateriumantifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreriphytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, MexicoDe la Cruz-López et al. 2022
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaPaenibacillus Polymyxaantifungal effects against Rhizopus stoloniferisolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)Wu et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
ProkaryotaBacillus Subtilisinhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
EukaryotaTrichoderma Viriden/anot shownWheatley et al. 1997
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaPseudomonas ChlororaphisIt has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaCyanobacteria Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaMyxobacterium Sp.It has been shown to inhibit development of sclerotia of fungi.NASchulz and Dickschat 2007
ProkaryotaPseudomonas FluorescensInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas CorrugataInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaBacillus Sp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaArthrobacter NitroguajacolicusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
EukaryotaTuber Magnatumn/aItalian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
EukaryotaTrichoderma Sp.NANemcovic et al. 2008
EukaryotaAspergillus Sp.NASeifert and King 1982
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaBHISESI-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno
ProkaryotaBacillus MuralisNA mediaSPME/GC-MSno
ProkaryotaNovosphingobium LindaniclasticumNA mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisNA mediaSPME/GC-MSno
ProkaryotaBacillus MegateriumNA mediaSPME/GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaPaenibacillus PolymyxaLB agar and M49 (minimal) mediaSPME/GC-MSyes
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
ProkaryotaBacillus Subtilisnutrient agar mediumSPME/GC-MSno
EukaryotaTrichoderma Virideminimal agarVOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25°C for 48h.no
EukaryotaTrichoderma VirideMalt extract/Low mediumGC/MSno
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano
ProkaryotaNannocystis Exedensn/an/ano
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTrichoderma Sp.no
EukaryotaAspergillus Sp.no
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


2-methyl-1,3-benzoxazole

Compound Details

Synonymous names
2-Methylbenzoxazole
95-21-6
2-Methylbenzo[d]oxazole
2-Methyl-1,3-benzoxazole
2-Methylbenzoxazol
BENZOXAZOLE, 2-METHYL-
2-methyl-benzoxazole
USAF EK-982
2-Methyl-4,5-benzoxazole
Benzoxazole, methyl-
2-methyl-benzooxazole
2-Methyl-4,5-benzo-oxazole
MFCD00005771
Z0P021V3TI
NSC-3824
92609-49-9
2-Methylbenzoxazole, 99%
2-Methylbenzoxazol [Czech]
NSC 3824
EINECS 202-399-9
UNII-Z0P021V3TI
2-methyl benzoxazole
SCHEMBL129661
2-Methyl-1,3-benzoxazole #
SCHEMBL11209434
(Quinazolin-4-yloxy)-aceticacid
CHEBI:51603
WLN: T56 BN DOJ C1
DTXSID50870432
NSC3824
AC1636
AKOS000120967
DS-7378
HY-W038287
MCULE-7268173542
AC-19517
PD158366
SY048477
DB-057567
2-METHYL-4,5-BENZO-OXAZOLE [FHFI]
CS-0095153
M0557
NS00012852
EN300-16572
W-100171
Q27122675
F0001-2269
InChI=1/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H
Microorganism:

Yes

IUPAC name2-methyl-1,3-benzoxazole
SMILESCC1=NC2=CC=CC=C2O1
InchiInChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
FormulaC8H7NO
PubChem ID7225
Molweight133.15
LogP2.2
Atoms10
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds aromatic compounds heterocyclic compounds benzenoids oxazoles
CHEBI-ID51603
Supernatural-IDSN0072890

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno


1,2-benzothiazole

Compound Details

Synonymous names
1,2-BENZISOTHIAZOLE
Benzo[d]isothiazole
272-16-2
1,2-benzothiazole
benzisothiazole
271-61-4
9-THIA-8-AZABICYCLO[4.3.0]NONA-1,3,5,7-TETRAENE
CCRIS 6347
benzisothiazoline
Benzisothiazole-1,2
1,2-benzisothiazolin
1-Thia-2-azaindene
SCHEMBL22858
SCHEMBL2216418
DTXSID7074290
MFCD00270827
AKOS006273079
BS-50812
CS-0155958
D83233
F9994-0101
Microorganism:

Yes

IUPAC name1,2-benzothiazole
SMILESC1=CC=C2C(=C1)C=NS2
InchiInChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
FormulaC7H5NS
PubChem ID9225
Molweight135.19
LogP2.3
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationthiazoles sulfur compounds nitrogen compounds benzenoids heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisZhang et al. 2021
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


1,3-benzoxazole

Compound Details

Synonymous names
BENZOXAZOLE
273-53-0
1,3-Benzoxazole
BENZO[D]OXAZOLE
1-Oxa-3-azaindene
1-Oxa-3-aza-1H-indene
USAF EK-5017
Benzooxazole
CHEBI:38814
J233Y1I55I
NSC-3982
MFCD00005765
Benzoxazoles
NSC 3982
EINECS 205-988-9
UNII-J233Y1I55I
AI3-05743
NSC3982
Benzoxazole, 98%
1,3-Benzoxazole #
SCHEMBL7903
WLN: T56 BN DOJ
CHEMBL451894
DTXSID8059768
AKOS000119993
CS-W004722
PS-3680
5-BROMO-4-CHLORO-3-INDOLYLB-D-
DB-029474
A3423
B0095
NS00028287
EN300-20396
H10149
A819031
Q761111
J-016748
InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5
Microorganism:

Yes

IUPAC name1,3-benzoxazole
SMILESC1=CC=C2C(=C1)N=CO2
InchiInChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
FormulaC7H5NO
PubChem ID9228
Molweight119.12
LogP1.6
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationheterocyclic compounds benzenoids nitrogen compounds aromatic compounds azoles
CHEBI-ID38814
Supernatural-IDSN0021823

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno


1,3-thiazole

Mass-Spectra

Compound Details

Synonymous names
THIAZOLE
288-47-1
1,3-Thiazole
FEMA No. 3615
320RCW8PEF
CHEBI:43732
thiazol
Thiazoles
tz
CCRIS 3205
EINECS 206-021-3
UNII-320RCW8PEF
BRN 0103852
a thiazole
racemic thiazole
Thiazole-
Thiazole, 99%
5H-1,3-thiazole
1,3-Thiazole #
Thiazole, >=99%
THIAZOLE [FHFI]
THIAZOLE [MI]
4-27-00-00960 (Beilstein Handbook Reference)
CHEMBL15605
DTXSID2059776
FEMA 3615
AMY5749
BCP27450
BBL027512
MFCD00005315
STL372725
AKOS005146301
CS-W001237
MCULE-2839580990
LOM
CB7853436
DB-000360
NS00014391
T0185
EN300-22312
A819630
InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3
Q413426
Q-100366
Microorganism:

Yes

IUPAC name1,3-thiazole
SMILESC1=CSC=N1
InchiInChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
FormulaC3H3NS
PubChem ID9256
Molweight85.13
LogP0.4
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationheterocyclic compounds thiazoles sulfur compounds aromatic compounds nitrogen compounds
CHEBI-ID43732
Supernatural-IDSN0100007

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno


1,3,5-trimethylpyrazole

Compound Details

Synonymous names
1,3,5-TRIMETHYLPYRAZOLE
1072-91-9
1,3,5-Trimethyl-1H-pyrazole
1H-Pyrazole, 1,3,5-trimethyl-
Pyrazole, 1,3,5-trimethyl-
63938V7Z82
UNII-63938V7Z82
SCHEMBL147208
DTXSID70147951
1,3,5-Trimethylpyrazole, 97%
CHEBI:195104
HNOQAFMOBRWDKQ-UHFFFAOYSA-N
1,3,5-Trimethyl-1H-pyrazole #
BCP18636
HY-N7086
MFCD00015536
s5147
STK396612
AKOS002656998
AC-4834
CCG-266050
CS-W013666
DS-1495
MCULE-1448165985
PD088276
DB-027318
T2724
EN300-35528
11B-132
Q-101972
Q27263586
Microorganism:

Yes

IUPAC name1,3,5-trimethylpyrazole
SMILESCC1=CC(=NN1C)C
InchiInChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
FormulaC6H10N2
PubChem ID14081
Molweight110.16
LogP1
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds pyrazoles nitrogen compounds heterocyclic compounds
CHEBI-ID195104

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


5-methyl-1H-pyrazole

Mass-Spectra

Compound Details

Synonymous names
3-Methylpyrazole
5-methyl-1H-pyrazole
1453-58-3
3-Methyl-1H-pyrazole
88054-14-2
1H-Pyrazole,5-methyl-
1H-Pyrazole, 3-methyl-
5-Methylpyrazole
3(5)-Methylpyrazole
1H-Pyrazole, 5-methyl-
Pyrazole, 5-methyl-
PYRAZOLE, 3-METHYL-
methylpyrazole
3-Methyl pyrazole
1H-pyrazole-3-methyl
MFCD00005240
MFCD08685900
W7KU1RRO6U
CHEMBL3275944
EINECS 215-925-7
UNII-W7KU1RRO6U
BRN 0001454
3-methyl-pyrazole
3-methyl-1-H-pyrazole
3-Methyl-1,2-diazole
3-Methylpyrazole, 97%
EC 215-925-7
3-methyl-1(2)H-pyrazole
5-23-05-00004 (Beilstein Handbook Reference)
Pyrazole, 3(or 5)-methyl-
DTXSID3073260
5-Methyl-1H-pyrazole, AldrichCPR
BCP23867
CS-B0947
STR06996
BDBM50497139
s5146
STK263690
AKOS000265788
AKOS000311487
AC-2646
AM62623
CCG-266014
FD18008
MCULE-3441401586
HY-66054
PD088278
DB-028555
AM20120265
M0564
NS00001409
EN300-44939
3-Methylpyrazole, analytical reference material
J-512822
Q-101885
Q27292441
F9995-1460
Z450469310
Pyrazole, 3(or 5)-methyl- (6CI,7CI); Pyrazole, 3-methyl- (8CI); 3-Methyl-1H-pyrazole; 3-Methylpyrazole; 5-Methylpyrazole
Microorganism:

Yes

IUPAC name5-methyl-1H-pyrazole
SMILESCC1=CC=NN1
InchiInChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
FormulaC4H6N2
PubChem ID15073
Molweight82.1
LogP0.6
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds nitrogen compounds pyrazoles heterocyclic compounds
Supernatural-IDSN0432930

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
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/an/ano
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


5-phenyl-1,3,4-oxadiazol-2-amine

Compound Details

Synonymous names
5-Phenyl-1,3,4-oxadiazol-2-amine
1612-76-6
2-Amino-5-phenyl-1,3,4-oxadiazole
1,3,4-Oxadiazol-2-amine, 5-phenyl-
5-Phenyl-[1,3,4]oxadiazol-2-ylamine
5-Amino-2-phenyl-1,3,4-oxadiazole
1,3,4-OXADIAZOLE, 2-AMINO-5-PHENYL-
2-Fenil-5-amino-1,3,4-ossadiazolo
MFCD00126383
NSC 116132
2-Fenil-5-amino-1,3,4-ossadiazolo [Italian]
5-phenyl-1,3,4-oxadiazole-2-ylamine
Cambridge id 5140657
SCHEMBL3979
TimTec1_001514
CHEMBL2426230
DTXSID60167087
BDBM600903
HMS1538E18
ALBB-006413
NSC116132
STK500436
US11634391, Compound 137
1,4-Oxadiazol-2-amine, 5-phenyl-
1,4-Oxadiazole, 2-amino-5-phenyl-
2-Amino-5-phenyl-1,3-4-oxadiazole
AKOS000122056
CS-W004893
MB00695
NSC-116132
NCGC00174350-01
SY081589
2-Amino-5-phenyl-1,3,4-oxadiazole, 97%
EN300-02557
12L-713
A810242
SR-01000401386
J-009806
J-517909
SR-01000401386-1
Z56788716
F0266-4159
Microorganism:

Yes

IUPAC name5-phenyl-1,3,4-oxadiazol-2-amine
SMILESC1=CC=C(C=C1)C2=NN=C(O2)N
InchiInChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
FormulaC8H7N3O
PubChem ID15363
Molweight161.16
LogP0.7
Atoms12
Bonds1
H-bond Acceptor4
H-bond Donor1
Chemical Classificationoxadiazoles nitrogen compounds heterocyclic compounds aromatic compounds amines
Supernatural-IDSN0053055

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


5-ethenyl-4-methyl-1,3-thiazole

Compound Details

Synonymous names
4-METHYL-5-VINYLTHIAZOLE
1759-28-0
Thiazole, 5-ethenyl-4-methyl-
4-Methyl-5-vinyl thiazole
5-Ethenyl-4-methylthiazole
vinyl sulfurol
5-ethenyl-4-methyl-1,3-thiazole
Thiazole, 4-methyl-5-vinyl-
FEMA No. 3313
5-Vinyl-4-methylthiazole
1G77935P78
Vinylsulfurol
BRN 0107867
EINECS 217-160-4
4-methyl-5-vinyl-thiazole
4-Methyl-5-vinyl-1,3-thiazole
UNII-1G77935P78
4-27-00-01015 (Beilstein Handbook Reference)
5-Ethenyl-4-methyl-Thiazole
SCHEMBL347422
DTXSID5061952
FEMA 3313
4-Methyl-5-vinylthiazole, 99%
4-Methyl-5-vinyl-1,3-thiazole #
MFCD00005337
AKOS015842449
CS-W011169
MCULE-6812875518
4-METHYL-5-VINYLTHIAZOLE [FHFI]
4-Methyl-5-vinylthiazole, >=97%, FG
AC-19940
DS-11310
DB-044241
A3906
M1029
NS00021754
D70107
EN300-1662326
Q-100211
Q27252385
InChI=1/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H
Microorganism:

Yes

IUPAC name5-ethenyl-4-methyl-1,3-thiazole
SMILESCC1=C(SC=N1)C=C
InchiInChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3
FormulaC6H7NS
PubChem ID15654
Molweight125.19
LogP2.2
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thiazoles nitrogen compounds aromatic compounds heterocyclic compounds
Supernatural-IDSN0315173

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


4-bromo-1H-pyrazole

Compound Details

Synonymous names
4-Bromo-1H-pyrazole
4-Bromopyrazole
2075-45-8
1H-Pyrazole, 4-bromo-
PYRAZOLE, 4-BROMO-
4-Brompyrazole
4-bromo-pyrazole
MFCD00075602
NSC-522023
4-Bromopyrazole; NSC 522023
NSC 522023
BRN 0106510
4-bromo pyrazole
BYZ
JCB5VB9RTA
4-Bromo-1-H-pyrazole
4-Bromopyrazole, 99%
WLN: T5MNJ DE
SCHEMBL10169
5-23-04-00172 (Beilstein Handbook Reference)
CHEMBL4440111
DTXSID50174826
ALBB-000287
AMY12221
NSC522023
STK301300
AKOS000304500
AB02892
AC-2709
AS-5543
CS-W009265
BP-21496
HY-78243
SY002635
DB-262940
A4505
AM20090168
B3745
EN300-50991
AC-907/25014004
J-013590
Q27458577
F0001-0740
Z275169750
Microorganism:

No

IUPAC name4-bromo-1H-pyrazole
SMILESC1=C(C=NN1)Br
InchiInChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
FormulaC3H3BrN2
PubChem ID16375
Molweight146.97
LogP0.3
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationpyrazoles nitrogen compounds heterocyclic compounds halogenated compounds bromides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


1-imidazol-1-ylethanone

Mass-Spectra

Compound Details

Synonymous names
1-Acetylimidazole
N-Acetylimidazole
2466-76-4
1-(1H-imidazol-1-yl)ethanone
1H-Imidazole, 1-acetyl-
Acetylimidazole
1-Acetyl-1H-imidazole
1-imidazol-1-ylethanone
IMIDAZOLE, 1-ACETYL-
1-(1H-imidazol-1-yl)ethan-1-one
Ethanone, 1-(1H-imidazol-1-yl)-
MFCD00005287
ZMP8X1Y11G
CHEBI:16984
3-acetylimidazole
CCRIS 6534
EINECS 219-577-7
UNII-ZMP8X1Y11G
BRN 0108425
N-acetyl imidazole
1- acetylimidazole
1-acetyl imidazole
1-Acetylimidazole, 98%
Imidazole N-1 deriv. 5
OZAGREL IMPURITY 1
1-Acetyl-1H-imidazole #
1-(methylcarbonyl)imidazole
SCHEMBL26238
5-23-04-00218 (Beilstein Handbook Reference)
MLS001074864
BDBM7944
CHEMBL1592087
DTXSID8062440
HMS2234I07
AKOS005208084
AC-7521
NCGC00246992-01
AS-11932
SMR000568396
SY049533
DB-031677
A0694
A5057
AM20090278
CS-0010103
NS00046189
C02560
EN300-748826
1-(1H-imidazol-1-yl)ethanone;N-Acetylimidazole
1-Acetylimidazole, Vetec(TM) reagent grade, 98%
1,1-[but-2-yne-1,4-diylbis(oxy)]bispropan-2-ol
Q-102345
Q27102162
Z1255402643
Microorganism:

No

IUPAC name1-imidazol-1-ylethanone
SMILESCC(=O)N1C=CN=C1
InchiInChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
FormulaC5H6N2O
PubChem ID17174
Molweight110.11
LogP-0.3
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes imidazoles nitrogen compounds heterocyclic compounds aldehydes aromatic compounds
CHEBI-ID16984
Supernatural-IDSN0391079

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno


1-butyl-1,2,4-triazole

Compound Details

Synonymous names
1-Butyl-1H-1,2,4-triazole
6086-22-2
1-BUTYL-1,2,4(1H)-TRIAZOLE
1-Butyl-1,2,4-triazole
1H-1,2,4-Triazole, 1-butyl-
1-n-Butyl-1,2,4-triazole
1-Butyl-s-triazole
SCHEMBL1573646
(1,2,4-triazol-1-yl)butane
DTXSID70209700
AKOS013122696
Q27454302
Microorganism:

Yes

IUPAC name1-butyl-1,2,4-triazole
SMILESCCCCN1C=NC=N1
InchiInChI=1S/C6H11N3/c1-2-3-4-9-6-7-5-8-9/h5-6H,2-4H2,1H3
FormulaC6H11N3
PubChem ID22460
Molweight125.17
LogP1.2
Atoms9
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds triazoles heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1H-imidazole-2-carbaldehyde

Compound Details

Synonymous names
10111-08-7
1H-Imidazole-2-carbaldehyde
Imidazole-2-carboxaldehyde
2-Formylimidazole
1H-IMIDAZOLE-2-CARBOXALDEHYDE
2-Imidazolecarboxaldehyde
imidazole-2-aldehyde
MFCD00003544
Imidazole-2-carbaldehyde
1H-Imidazolecarboxaldehyde
2-Formyl-1H-imidazole
formylimidazole
Isovalericacid
imidazolealdehyde
2-formyl imidazole
2-formyl-imidazole
imidazole carbaldehyde
imidazolecarboxaldehyde
2-imidazolecarbaldehyde
2-imidazol-carbaldehyde
imidazol-2-carbaldehyde
2-imidazolcarboxaldehyde
imidazole-2-carboxaldeyde
2-imidazole carboxaldehyde
2-imidazole-carboxaldehyde
imidazole 2-carboxaldehyde
1H-2-imidazolecarbaldehyde
1H-imidazol-2-carbaldehyd
2-Formyl imidazole (Imidazole-2-carboxaldehyde)
1H-imidazole-2 carbaldehyde
1H-imidazole-2-carboaldehyde
YSWG441
1-H-imidazole-2-carbaldehyde
1H-Imidazole-2-carbaldehyde #
2-Imidazolecarboxaldehyde, 97%
DTXSID70143736
BCP27080
STR04050
BBL104408
STK503765
AKOS004910734
AC-6503
CS-W007321
HY-W007321
MCULE-7353417190
PB47438
PS-9350
BP-12787
SY014217
DB-005097
AM20070660
I0809
NS00023025
EN300-52542
A16251
W-200646
F8880-2426
Microorganism:

Yes

IUPAC name1H-imidazole-2-carbaldehyde
SMILESC1=CN=C(N1)C=O
InchiInChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
FormulaC4H4N2O
PubChem ID24955
Molweight96.09
LogP-0.1
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aromatic compounds imidazoles heterocyclic compounds aldehydes nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2,4,5-trimethyl-1,3-oxazole

Mass-Spectra

Compound Details

Synonymous names
FEMA 4394
2,4,5-TRIMETHYLOXAZOLE
20662-84-4
Trimethyloxazole
Oxazole, trimethyl-
2,4,5-Trimethyl-1,3-oxazole
Oxazole, 2,4,5-trimethyl-
trimethyl-1,3-oxazole
B04PF51WXI
Oxazole, 2,4,5-trimethyl
MFCD00005308
EINECS 243-952-4
2,4,5-Trimethyl oxazole
UNII-B04PF51WXI
Trimethyl-Oxazole
2,4,5-trimethyl-oxazole
SCHEMBL76903
TRIMETHYLOXAZOLE [FHFI]
DTXSID0022274
FEMA NO. 4394
2,4,5-Trimethyloxazole, 95%
CHEBI:179309
2,4,5-Trimethyl-1,3-oxazole #
2,4,5-Trimethyloxazole, 99%, FG
AKOS015900489
DS-3980
DB-045329
CS-0153589
NS00021839
T2595
A814792
W-107601
Q27274214
InChI=1/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H
Microorganism:

Yes

IUPAC name2,4,5-trimethyl-1,3-oxazole
SMILESCC1=C(OC(=N1)C)C
InchiInChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
FormulaC6H9NO
PubChem ID30215
Molweight111.14
LogP1.5
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationethers nitrogen compounds oxazoles heterocyclic compounds
CHEBI-ID179309
Supernatural-IDSN0478318

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaBacillus Thuringiensisn/aNASchulz and Dickschat 2007
ProkaryotaBacillus Popillaen/aNASchulz and Dickschat 2007
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaBacillus Thuringiensisn/an/ano
ProkaryotaBacillus Popillaen/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-(1,3-thiazol-2-yl)propan-1-one

Compound Details

Synonymous names
2-Propionylthiazole
43039-98-1
1-(Thiazol-2-yl)propan-1-one
1-(1,3-thiazol-2-yl)propan-1-one
2-Propionyl thiazole
1-Propanone, 1-(2-thiazolyl)-
Thiazole, 2-propionyl-
Ethyl 2-thiazolyl ketone
1-(2-Thiazolyl)-1-propanone
FEMA No. 3611
2-propionylthiazol
2-Propanoylthiazole
2-Propanoyl-thiazole
2-(1-propanonyl)thiazole
05CB62UH9K
BRN 0507838
UNII-05CB62UH9K
2-Propionyl-Thiazole
2-Thiazolyl-1-propanone
Thiazole, 2-(1-oxopropyl)
PROPIONYLTHIAZOLE, 2-
SCHEMBL3504222
2-propionylthiazole, AldrichCPR
FEMA 3611
DTXSID90195651
2-PROPIONYLTHIAZOLE [FHFI]
MFCD01681404
1-(2-Thiazolyl)-1-propanone, 9CI
AKOS000320677
DS-6098
MCULE-9560900569
CS-0152648
NS00022186
P2247
F53520
EN300-1268903
A826116
Q27236105
Microorganism:

Yes

IUPAC name1-(1,3-thiazol-2-yl)propan-1-one
SMILESCCC(=O)C1=NC=CS1
InchiInChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
FormulaC6H7NOS
PubChem ID65288
Molweight141.19
LogP1.4
Atoms9
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationsulfur compounds thiazoles nitrogen compounds aromatic compounds heterocyclic compounds
Supernatural-IDSN0363641

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno


1,2,3-benzothiadiazole

Compound Details

Synonymous names
1,2,3-Benzothiadiazole
273-77-8
Benzo[d][1,2,3]thiadiazole
Benzothiadiazole
Benzo-1,2,3-thiadiazole
R3PA3EL3RP
NSC-111919
Benzo[1,2,3]thiadiazole
benzthiadiazole
azabenzothiazole
EINECS 205-989-4
NSC111919
NSC 111919
1,3-Benzothiadiazole
UNII-R3PA3EL3RP
SCHEMBL8615
DTXSID00181747
MFCD00047265
STL301360
AKOS000279570
MCULE-9208410961
DS-12948
CS-0155899
NS00028290
C74419
EN300-170087
A918389
Z1198148806
InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4
Microorganism:

No

IUPAC name1,2,3-benzothiadiazole
SMILESC1=CC=C2C(=C1)N=NS2
InchiInChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
FormulaC6H4N2S
PubChem ID67505
Molweight136.18
LogP1.9
Atoms9
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationsulfur compounds benzenoids heterocyclic compounds thiadiazoles aromatic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno


2-methyl-1,3-thiazole

Compound Details

Synonymous names
2-Methylthiazole
3581-87-1
2-Methyl-1,3-thiazole
Thiazole, 2-methyl-
2-Methyl thiazole
2-methyl-thiazole
7G081N1ERP
MFCD00053144
Thiazole, methyl-
methylthiazol
UNII-7G081N1ERP
EINECS 222-702-8
2-Methyl-1,3-thiazole #
DTXSID20189346
CHEBI:229326
2-Methyl-1,3-thiazole, AldrichCPR
AKOS009247442
CS-W002260
BP-20392
SY009541
DB-006197
AM20090566
M1755
NS00022094
EN300-36818
A822986
Q-100427
Q27268213
Microorganism:

Yes

IUPAC name2-methyl-1,3-thiazole
SMILESCC1=NC=CS1
InchiInChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
FormulaC4H5NS
PubChem ID77129
Molweight99.16
LogP1.4
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thiazoles nitrogen compounds aromatic compounds heterocyclic compounds
CHEBI-ID229326

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


1-ethylimidazole

Mass-Spectra

Compound Details

Synonymous names
1-Ethylimidazole
1-Ethyl-1H-imidazole
7098-07-9
N-Ethylimidazole
Imidazole, 1-ethyl-
1H-Imidazole, 1-ethyl-
1-Ethylimidazole, >98%
T49PA5I372
MFCD00055389
1-ethyl imidazole
1-Ethyl-1H-imidazole #
CHEMBL13911
UNII-T49PA5I372
DTXSID10221209
EINECS 230-403-9
STL583912
AKOS000274662
AC-7525
CS-W011340
MCULE-1925854308
PS-9345
PD163435
DB-055475
E0132
NS00001048
EN300-53759
D70860
EC 230-403-9
W-104539
1-Ethylimidazole, produced by BASF, >=95.0% (HPLC)
Z286789018
InChI=1/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H
Microorganism:

Yes

IUPAC name1-ethylimidazole
SMILESCCN1C=CN=C1
InchiInChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
FormulaC5H8N2
PubChem ID81540
Molweight96.13
LogP0.3
Atoms7
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes nitrogen compounds heterocyclic compounds aldehydes imidazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Pumilusn/aNAWei-wei et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Pumilusn/an/ano