Results for:
chemical Classification: nitrogen compounds

2-methyl-5-propylpyrazine

Mass-Spectra

Compound Details

Synonymous names
DAOYAWODBHNYDA-UHFFFAOYSA-N
AC1L3UHD
AC1Q4VP0
2-Methyl-5-propylpyrazine
5-Methyl-2-propylpyrazine
CTK8D5594
SCHEMBL299637
2-methyl-5-propyl-pyrazine
DTXSID0067472
HE030273
HE332553
93M0A48A82
PYRAZINE,2-METHYL-5-PROPYL-
UNII-93M0A48A82
AKOS006370717
Pyrazine, 2-methyl-5-propyl-
29461-03-8
Microorganism:

Yes

IUPAC name2-methyl-5-propylpyrazine
SMILESCCCC1=NC=C(N=C1)C
InchiInChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3
FormulaC8H12N2
PubChem ID122383
Molweight136.198
LogP0.95
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds pyrazines

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Aspergillus Sp.Dickschat 2026
Fungi Fusarium Sp.Dickschat 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Aspergillus Sp.no
Fungi Fusarium Sp.no


2-methyl-5-(2-methylpropyl)pyrazine

Compound Details

Synonymous names
IZEBGMNIMQBAJR-UHFFFAOYSA-N
2-Methyl-5-isobutylpyrazine
CTK8I0599
DTXSID80555205
SCHEMBL10182085
2-Methyl-5-(2-methylpropyl)pyrazine
29461-05-0
Microorganism:

Yes

IUPAC name2-methyl-5-(2-methylpropyl)pyrazine
SMILESCC1=CN=C(C=N1)CC(C)C
InchiInChI=1S/C9H14N2/c1-7(2)4-9-6-10-8(3)5-11-9/h5-7H,4H2,1-3H3
FormulaC9H14N2
PubChem ID14061124
Molweight150.225
LogP1.23
Atoms25
Bonds25
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPaenibacillus Polymyxan/an/a


2-methyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names
PGTQKVQDZHXLOP-UHFFFAOYSA-N
AC1L1VRA
2-Isopropyl-5-methylpyrazine
2-Methyl-5-isopropylpyrazine
5-Isopropyl-2-methylpyrazine
CTK4C1701
SCHEMBL179362
2-methyl-5-isopropyl pyrazine
818RIW504V
DTXSID7065677
HE094544
HE030272
UNII-818RIW504V
ZINC1850662
2-methyl-5-propan-2-ylpyrazine
KB-173344
AKOS006326657
FEMA No. 3554
Pyrazine, 2-isopropyl-5-methyl-
I14-44938
2-Methyl-5-(1-methylethyl)pyrazine
2-methyl-5-(propan-2-yl)pyrazine
13925-05-8
Pyrazine,2-methyl-5-(1-methylethyl)-
Pyrazine, 2-methyl-5-(1-methylethyl)-
Microorganism:

Yes

IUPAC name2-methyl-5-propan-2-ylpyrazine
SMILESCC1=CN=C(C=N1)C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID61700
Molweight136.198
LogP1.04
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen containing compounds nitrogen compounds nitrogen compounds heterocylces

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
FungiPleurotus CystidiosusnanaUsami et al., 2014
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaKlebsiella Pneumoniaen/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_6
BacteriaJannaschia Helgolandensis Strain HEL-26n/aDickschat et al., 2005_6
BacteriaLoktanella Hongkongensis Strain Bio-204n/aDickschat et al., 2005_6
BacteriaOceanibulbus Indolifex HEL-45n/aDickschat et al., 2005_6
BacteriaRoseobacter Gallaeciensis Strain PIC-68n/aDickschat et al., 2005_6
BacteriaStappia Marina Strain DFL-11n/aDickschat et al., 2005_6
BacteriaSulfitobacter Pontiacus BIO-007n/aDickschat et al., 2005_6
BacteriaSulfitobacter Sp. PIC-70n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaChondromyces Crocatusn/an/a
BacteriaKlebsiella Pneumoniaen/an/a
BacteriaPaenibacillus Polymyxan/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaJannaschia Helgolandensis Strain HEL-26n/an/a
BacteriaLoktanella Hongkongensis Strain Bio-204n/an/a
BacteriaOceanibulbus Indolifex HEL-45n/an/a
BacteriaRoseobacter Gallaeciensis Strain PIC-68n/an/a
BacteriaStappia Marina Strain DFL-11n/an/a
BacteriaSulfitobacter Pontiacus BIO-007n/an/a
BacteriaSulfitobacter Sp. PIC-70n/an/a


2-methyl-6-propan-2-ylpyrazine

Compound Details

Synonymous names
QSLRSJBWLFFNIS-UHFFFAOYSA-N
2-Isopropyl-6-methylpyrazine
2-METHYL-6-ISOPROPYLPYRAZINE
CTK0J4806
HE094565
SCHEMBL1162069
DTXSID60566970
AKOS006370976
2-Methyl-6-(propan-2-yl)pyrazine
24541-74-0
Pyrazine, 2-methyl-6-(1-methylethyl)-
Microorganism:

Yes

IUPAC name2-methyl-6-propan-2-ylpyrazine
SMILESCC1=CN=CC(=N1)C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-5-9-4-7(3)10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID15014537
Molweight136.198
LogP1.04
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaPaenibacillus Polymyxan/an/a


2-methylpyridine

Mass-Spectra

Compound Details

Synonymous names
METHYLPYRIDINE
alpha-Methylpyridine
BSKHPKMHTQYZBB-UHFFFAOYSA-N
Picoline
alphap
o-Methylpyridine
Alpha picoline
alpha-Picoline
2-METHYLPYRIDINE
2-methylpridine
a-picoline
o-Picoline
AC1L1PZF
2-Picoline
PICOLINE, ALPHA
.alpha.-Methylpyridine
2-Methyl pyridine
2-METHYL-PYRIDINE
2-Pyridylmethyl radica1
2-Mepy
2-methyl-pyridin
AC1Q2R2B
2-Picoline, analytical standard
Picoline (Related)
Pyridine, methyl-
.alpha.-Picoline
ACMC-20aj4x
CHEMBL15732
NSC3409
PubChem15899
2-Picoline-d7
CTK0H6378
HSDB 101
P0415
AC14933
AM81276
BIDD:ER0295
RP17904
A15108
C14447
CCRIS 1721
Picoline, .alpha.
RCRA waste number U191
2-Methylpyridine, 98%
AK106183
DTXSID9021899
HE000129
HE140269
HE144670
HE306970
NSC 3409
NSC-3409
Pyridine, 2-methyl-
STL268873
CHEBI:50415
DSSTox_CID_1899
3716Q16Q6A
AI3-2409
AN-22539
DSSTox_GSID_21899
KB-25560
SC-16377
ST2417109
TRA0005960
TRA0055495
WLN: T6NJ B1
2-Methylpyridine-Pyridine, 2-methyl-
DSSTox_RID_76392
MFCD00006332
ZINC38192546
AI3-24109
DB-023694
KB-232113
LS-109608
NCIOpen2_007826
NCIOpen2_007919
RT-000701
UNII-3716Q16Q6A
AKOS000119190
J-510091
RCRA waste no. U191
ZINC328578702
FT-0613358
Tox21_111951
Tox21_201693
109-06-8
F0001-0192
1333-41-1
MCULE-3857746542
NCGC00160644-01
NCGC00160644-02
NCGC00259242-01
CAS-109-06-8
EINECS 203-643-7
45505-34-8
82005-07-0
2-Picoline, 98% 100ml
MolPort-019-379-301
o-Picoline [UN2313] [Flammable liquid]
68007-EP2277864A1
68007-EP2308874A1
72795-EP2277878A1
72795-EP2305652A2
72795-EP2309584A1
o-Picoline [UN2313] [Flammable liquid]
2-Methylpyridine, Lonza quality, >=99.0% (GC)
InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H
Microorganism:

Yes

IUPAC name2-methylpyridine
SMILESCC1=CC=CC=N1
InchiInChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
FormulaC5H4N(CH3)
PubChem ID7975
Molweight93.129
LogP0.89
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitrogen compounds pyridines

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-methylpyridine is 9.96X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that 2-methylpyridine 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 4 days(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 30 days(SRC). 2-Methylpyridine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). 2-Methylpyridine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 11.2 mm Hg at 25 deg C(3). 2-Methylpyridine is a weak base with a pKa of 5.96(4), which indicates this compound will partially exist in the protonated form in acidic conditions, and no volatilization from water or moist soil will occur for the cation(SRC). In mineral salts-soil suspensions incubated at 28 deg C, 15% was volatilized in 24 days(5). Volatilization from soil alone was only 2-3% after 60 days(6).
Literature: (1) Andon RJL et al; J Amer Chem Soc 76: 3188-96 (1954) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983) (4) Scriven EFV et al; Pyridine and Pyridine Derivatives. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Dec 2, 2005. (5) Sims GK, Sommers LE; Environ Toxicol Chem 5: 503-9 (1986) (6) Sims GK, Sommers LE; J Environ Qual 14: 480-4 (1985)
Soil Adsorption
The sorption behavior of 2-methylpyridine was studied in soil column tests using 5 Eurosoil reference soils having organic carbon content ranging from 0.33-1.85% and pH ranging from 5.2-8.6(1); measured Kd values ranging from 0.08 to 6.52(1) correspond to calculated Koc values of 4, 38, 70, 100 and 215(SRC); the lowest Koc value of 4 corresponds to Eurosoil 2 which had the highest pH value(8.6). The pKa of 2-methylpyridine is 5.96(2), indicating that this compound will exist partially in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3). In the Eurosoil column tests(1), lowest adsorption occurred when 2-methylpyridine was in non-ionized form(1). Sorption of 2-methylpyridine to soil is primarily controlled by cation exchange and surface complex formation(1,4). According to a classification scheme(5), the Koc values suggest that 2-methylpyridine is expected to have very high to moderate mobility in soil.
Literature: (1) Bi E et al; Environ Sci Technol 40: 5962-5970 (2006) (2) Scriven EFV et al; Pyridine and Pyridine Derivatives. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Dec 2, 2005. (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) (4) Bi E et al; Environ Sci Technol 41: 3172-3178 (2006) (5) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Spectral studies of 2-methylpyridine adsorbed to hydrated and dehydrated silica indicate that hydrogen bonding occurs with silica surface silanols via the nitrogen atom on the pyridine ring and that this interaction is stronger than that between this compound and water(1). 2-Methylpyridine emerged under 2 soil column void volumes; soil columns were packed with soil cores from Rock Springs, WY to the original 1016 mm depth and shale-oil process water was used as the mobile phase(2); the pH and clay content of the soil were not specified(2); this indicates that soil is an effective adsorbent when less than this void volume of retort water is applied (as in small spills)(2); rainfall leaching after a spill will also probably enhance solute migration(2). When 2-methylpyridine was incubated at 28 deg C in a soil inoculum, 4.8% was sorbed by soil(3).
Literature: (1) Ringwald SC, Pemberton JE; Environ Sci Technol 34: 259-65 (2000) (2) Leenheer JA, Stuber HA; Environ Sci Technol 15: 1467-75 (1981) (3) Sims GK, Sommers LE Environ Toxicol Chem 5: 503-9 (1986)
Vapor Pressure
PressureReference
11.2 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens UCMB5113nanaAsari et al., 2016
Fungi Aspergillus ClavatusSeifert and King 1982
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens UCMB5113TSA/LBAGC/MSNo
Fungi Aspergillus Clavatusno


2-methylquinoxaline

Mass-Spectra

Compound Details

Synonymous names
Methylquinoxaline
ALHUXMDEZNLFTA-UHFFFAOYSA-N
2-METHYLBENZOPYRAZINE
2-METHYLQUINOXALINE
AC1L2MUB
2-Methyl quinoxaline
2-methyl-quinoxaline
ACMC-1BIYR
AC1Q2P8L
KSC214K0N
P440
SCHEMBL28571
A9429
2-Methylquinoxaline, >=97%
03VU31MV6J
M0580
VZ34772
2-Methylquinoxaline, 97%
NSC65587
Quinoxaline, 2-methyl-
UNII-03VU31MV6J
ZINC391208
CCRIS 2948
HE019535
AK307606
STL451646
ZB012001
CHEMBL3287983
DTXSID50222831
2-methyl-1,4-naphthyridine
TRA0003471
CJ-03492
KB-25135
AB0017009
ANW-36214
NSC-65587
NSC 65587
ZINC00391208
CHEBI:132812
MFCD00006727
ST50411949
DB-013500
TC-064357
RTC-064357
AI3-50958
LS-143043
NCIOpen2_000305
AKOS015842561
I14-6314
W-104484
BRN 0113307
FT-0613078
Z1741794235
MCULE-2015871894
7251-61-8
EINECS 230-664-9
64828-56-4
MolPort-001-781-616
5-23-07-00219 (Beilstein Handbook Reference)
InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H
Microorganism:

Yes

IUPAC name2-methylquinoxaline
SMILESCC1=NC2=CC=CC=C2N=C1
InchiInChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3
FormulaC9H8N2
PubChem ID23686
Molweight144.177
LogP1.43
Atoms19
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids nitrogen compounds pyrazines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Cereus B-569AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCupriavidus Necator LMG 1199AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)


2-nitrocyclooctan-1-one

Compound Details

Synonymous names
2-Nitrocyclooctanone
SCHEMBL10953888
Microorganism:

Yes

IUPAC name2-nitrocyclooctan-1-one
SMILESC1CCCC(=O)C(CC1)[N+](=O)[O-]
InchiInChI=1S/C8H13NO3/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7H,1-6H2
FormulaC8H13NO3
PubChem ID10975936
Molweight171.196
LogP2.05
Atoms25
Bonds25
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationKetones nitro compounds nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus OstreatusnanaÇağlarırmak et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus OstreatusnaGC/MSNo


2-pentylpyridine

Mass-Spectra

Compound Details

Synonymous names
HSDXVAOHEOSTFZ-UHFFFAOYSA-N
2-PENTYLPYRIDINE
2-Amylpyridine
2-n-Pentylpyridine
2-pentyl pyridine
2-n-Amylpyridine
AC1L28PL
ACMC-1CMX8
Pyridine, pentyl-
S154
KSC203K5B
NSC4693
CTK1A3550
OR27869
VP14361
SCHEMBL300432
9N74L1UD11
Pyridine, 2-pentyl-
LS-3021
LP031810
NSC 4693
Jsp004628
NSC-4693
STK801859
HE000941
HC150175
DTXSID9062308
BBL028033
AK116759
ZINC3881710
A816439
UNII-9N74L1UD11
ANW-25000
1-(2-PYRIDYL)PENTANE
AB1006153
ACM2294760
AJ-46647
AN-19887
KB-25844
CJ-11094
AX8032754
TRA0008306
SC-57942
FCH1115909
CC-11770
ST2417148
ZX-AT010897
ZINC03881710
MFCD00051828
BB_NC-0787
C-02745
RTR-010732
DB-021475
ST50824170
TR-010732
I02-0329
BB_NC-00787
AKOS005622636
W-107448
FT-0613266
2-Pentylpyridine, >=97%, FG
MCULE-5660438217
2294-76-0
EINECS 218-937-0
2-Amyl pyridine; 1-(2-Pyridyl)pentane
MolPort-001-766-116
Microorganism:

Yes

IUPAC name2-pentylpyridine
SMILESCCCCCC1=CC=CC=N1
InchiInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
FormulaC10H15N
PubChem ID16800
Molweight149.237
LogP2.92
Atoms26
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationPyridine pyridines nitrogen compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS


2-phenylethanamine

Mass-Spectra

Compound Details

Synonymous names
Benzeneethanamine
phenylethylamine
Phenethylamine
phenethylarnine
beta-Aminoethylbenzene
beta-Phenylaethylamin
beta-phenylethylamine
Dextroamphetamine sulfate salt
omega-Phenylethylamine
phenethylamin
b-aminoethylbenzene
beta Phenethylamine
beta-Phenethylamine
PHENETHYLAMINE, HYDROCHLORIDE
b-phenylaethylamin
b-phenylethylamine
benzylmethyl amine
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenylethyl amine
.beta.-Phenylathylaminhydrochlorid
b-phenethylamine
N-phenethylamine
phenethyl amine
phenethyl-amine
2-Aminoethylbenzene
2-Phenylethanamine
2-phenylethaneamine
2-phenylethylamine
3-AMINOETHYLBENZENE
PHEA
2-Fenylethylamin
2-Phenethylamine
DL-BENZEDRINE SULFATE
N-Benzylmethyl-amine
PHENETHYLAMINE, BETA
.beta.-Phenylethylamine hydrochloride
14C-phenylethylamine
.beta.-Phenethylamine hydrochloride
1tnj
1utm
1uto
AC1L1AIE
D-Amphetamine sulfate salt
.beta.-Aminoethylbenzene
.beta.-Phenylaethylamin
.beta.-Phenylethylamine
.omega.-Phenylethylamine
2-Phenethylamine, analytical standard
2-phenyl ethylamine
2-phenyl-Ethanamine
2-phenyl-ethylamine
2-Phenylethanamine #
2-Phenylethyl amine
.beta.-Phenethylamine
2-Amino-fenylethan
beta-phenylaethylamin (german)
beta-Phenylaethylamin [German]
CHEMBL610
Polystyrene A-NH2
SCHEMBL968
(2-Aminoethyl)polystyrene
2-Phenethylamine, liquid
AC1Q54BB
Phenethylamine, >=99%
ACMC-1ATT1
b-phenylaethylamin (german)
C8H11N
Phenethylamine, 99%
(2-Aminoethyl)benzene
(2-phenylethyl)amine
2-(aminoethyl)benzene
2-(phenyl)ethylamine
AC1Q54D9
GTPL2144
KSC353A6F
Phenethylamine, .beta.
PubChem21080
(+)-alpha-Methylphenethylamine hemisulfate salt
1-Amino-2-phenylethane
1-Phenyl-2-aminoethane
2-Amino-1-phenylethane
2-Phenylethan-1-Amine
327C7L2BXQ
BDBM10758
CTK2F3062
HMDB12275
P0085
WLN: Z2R
2-Fenylethylamin [Czech]
ACT01135
AS00484
EBD27214
LS10634
NSC10811
RL04441
RP19436
SCHEMBL330324
(+)-A-METHYLPHENETHYLAMINE HEMISULFATE SALT
(+)-alpha-Methylphenethylamine sulfate salt
bmse000377
C05332
Ethanamine, 2-phenyl-
Ethylamine, 2-phenyl-
FEMA 3220
HMS2267J14
HSDB 3526
UNII-327C7L2BXQ
DNC012267
DTXSID5058773
LS-3025
OR033956
OR176651
OR195879
OR253104
SBB058801
STL264196
1-Phenyl-2-amino-athan
2-Amino-fenylethan [Czech]
AURORA KA-7805
CHEBI:18397
ZINC6579654
AJ-61320
AK-44044
AN-23735
ANW-34793
BR-44044
KB-47544
LABOTEST-BB LTBB000487
NSC 10811
NSC-10811
PARAGOS 510015
SC-18356
MFCD00008184
Phenethylamine, purified by redistillation, >=99.5%
RARECHEM AL BW 0047
AI3-03117
DB-002852
RTR-000856
ST24032521
ST45255355
TR-000856
TX-016680
AKOS000119084
I01-0392
Q-201553
BRN 0507488
FEMA No. 3220
MLS001066395
MLS001075768
SMR000471837
(+/-)-ALPHA-METHYLPHENETHYLAMINE SULFATE SALT
64-04-0
LABOTEST-BB LT03331710
AZ0001-0092
OTAVA-BB 1038619
Phenethyl-1,2-13C2-amine
F2190-0396
1-Phenyl-2-amino-athan (GERMAN)
1-Phenyl-2-amino-athan [German]
MCULE-5305816256
NCGC00163366-01
2-phenylethanamine (ACD/Name 4.0)
2-phenylethylamine (ACD/Name 4.0)
EINECS 200-574-4
843-EP2272972A1
843-EP2272973A1
843-EP2277872A1
843-EP2281818A1
843-EP2284157A1
843-EP2284174A1
843-EP2292619A1
843-EP2295439A1
843-EP2305260A1
843-EP2308510A1
843-EP2308562A2
843-EP2371811A2
156-28-5 (hydrochloride)
MolPort-000-871-498
12463-EP2280001A1
12463-EP2314571A2
12463-EP2316826A1
21691-EP2284174A1
21691-EP2314571A2
79541-EP2305695A2
79541-EP2305696A2
79541-EP2305697A2
79541-EP2305698A2
71750-39-5 (sulfate)
Polystyrene A-NH2, extent of labeling: 0.8-1.2 mmol/g loading
5471-08-9 (sulfate[2:1])
60BC7032-7CEC-4B97-B365-EA6E475E6E3C
InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H
Microorganism:

Yes

IUPAC name2-phenylethanamine
SMILESC1=CC=C(C=C1)CCN
InchiInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
FormulaC8H11N
PubChem ID1001
Molweight121.183
LogP1.39
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
197.5 °CPhysProp
194.5-195 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Volatilization
The Henry's Law constant for 2-phenylethylamine is estimated as 8.1X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-phenylethylamine expected to volatilize slowly from water surfaces(2). Based on this estimated 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 50 days(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 365 days(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)
Solubility
Sol in water; freely sol in alc, ether
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Soil Adsorption
The soil/water distribution coefficient (Kd) for 2-phenylethylamine was experimentally determined to be 2.1 in a silty-clay loam soil with an organic carbon content of 1.7%(1), which corresponds to a Koc value of 120(SRC). According to a classification scheme(2), this Koc value suggests that 2-phenylethylamine is expected to have high mobility in soil. The pKa of 2-phenylethylamine is 9.83(3), indicating that this compound will primarily exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(4); however, aliphatic cations are more weakly sorbed than those associated with aromatic ring systems(1).
Literature: (1) Nicholls PH; Organic Contaminants in the Environment. Jones KC, ed. Essex, England: Elsevier Sci Publ Ltd, Chpt 3, p. 95 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Lide DR, ed; CRC Handbook of Chemistry and Physics, 81st Ed. Boca Raton, FL: CRC Press LLC, p. 8-52 (2000) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals; Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Globiformisn/aSchulz and Dickschat, 2007
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Globiformisn/an/a
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno


(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal

Compound Details

Synonymous names
NRCJELUZOZAJPC-XVNBXDOJSA-N
AC1NSGTV
3-(1-Aziridinyl)-3-(dimethylamino)propenal
2-Propenal, 3-(1-aziridinyl)-3-(dimethylamino)-
(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal
(2E)-3-(1-Aziridinyl)-3-(dimethylamino)-2-propenal #
Microorganism:

Yes

IUPAC name(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)C(=CC=O)N1CC1
InchiInChI=1S/C7H12N2O/c1-8(2)7(3-6-10)9-4-5-9/h3,6H,4-5H2,1-2H3/b7-3+
FormulaC7H12N2O
PubChem ID5362966
Molweight140.186
LogP0.25
Atoms22
Bonds22
H-bond Acceptor3
H-bond Donor0
Chemical Classificationamines nitrogen compounds aldehydes alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Putida BP25Luria Bertani AgarSolvent extraction with dichloro methane, GC/MSNo


2,3-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
Dimethylpyrazine
OXQOBQJCDNLAPO-UHFFFAOYSA-N
AC1L2JXE
ACMC-1ARXZ
Pyrazine, dimethyl-
2,3-DIMETHYLPYRAZINE
PubChem8607
ZINC3183
KSC206S1P
CHEMBL96425
2,3-Dimethylpyrazine, analytical reference material
V2346
CTK1A6917
WHF7883D0V
2,3-dimethyl pyrazine
2,3-Dimethyl-pyrazine
AM87085
ACT01753
RP18901
SCHEMBL151026
VP40015
CCRIS 2928
UNII-WHF7883D0V
2,3-dmpyz
HE127213
LS-2693
HE357208
ZB000535
HE000196
DTXSID4064058
A832162
M-6206
TL8003771
2,3-Dimethylpyrazine (natural)
ST2409050
SC-05575
KB-67319
BR-35775
ANW-33157
TRA0020191
AJ-08169
AK-35775
AN-20039
MFCD00006144
ZINC00003183
TR-020514
RTR-020514
DB-003230
ST51053930
AKOS007930710
Pyrazine, 2,3-dimethyl-
2,3-Dimethylpyrazine, 99%
I14-0742
FT-0609727
FEMA No. 3271
Z940713464
2,3-Dimethyl-1,4-diazine
MCULE-4503796486
5910-89-4
EINECS 227-630-0
25704-73-8
MolPort-001-769-723
2,3-Dimethylpyrazine, >=95%, FCC, FG
InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H
Microorganism:

Yes

IUPAC name2,3-dimethylpyrazine
SMILESCC1=NC=CN=C1C
InchiInChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
FormulaC6H8N2
PubChem ID22201
Molweight108.144
LogP-0.2
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazine pyrazines nitrogen compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaPseudomonas AeruginosaclinicPreti., 2009
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no


1,4,5,6-tetrahydropyridazine

Compound Details

Synonymous names
BGMLUCPALPKNOV-UHFFFAOYSA-N
AC1LBI1W
PYR410
CTK1J1132
HE380440
DTXSID50339751
1,4,5,6-Tetrahydropyridazine
2,3,4,5-Tetrahydropyridazine
1,4,5,6-Tetrahydropyridazine #
694-06-4
Pyridazine, 1,4,5,6-tetrahydro-
Microorganism:

Yes

IUPAC name1,4,5,6-tetrahydropyridazine
SMILESC1CC=NNC1
InchiInChI=1S/C4H8N2/c1-2-4-6-5-3-1/h3,6H,1-2,4H2
FormulaC4H8N2
PubChem ID558341
Molweight84.122
LogP-0.22
Atoms14
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationnitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus Aureusn/aJia et al., 2010
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS


2,3,4,5-tetrahydropyridine

Mass-Spectra

Compound Details

Synonymous names
Piperideine
DWKUKQRKVCMOLP-UHFFFAOYSA-N
delta1-Piperideine
1-Piperideine
AC1Q4ULG
2-piperidinyl
piperidin-2-yl
.delta.1-Piperideine
Delta(1)-piperideine
CTK4J2752
AC1L2961
C06181
HE115941
CHEBI:47858
DTXSID20198514
3,4,5,6-tetrahydropyridine
2,3,4,5-Tetrahydropyridine
2,3,4,5,-Tetrahydropyridine
505-18-0
Pyridine,2,3,4,5-tetrahydro-
9960-EP2286811A1
Pyridine, 2,3,4,5-tetrahydro-
9960-EP2270004A1
9960-EP2272517A1
9960-EP2272846A1
9960-EP2275404A1
9960-EP2277868A1
9960-EP2277869A1
9960-EP2316835A1
9960-EP2308866A1
9960-EP2308846A2
9960-EP2308844A2
9960-EP2308839A1
9960-EP2305250A1
9960-EP2298772A1
9960-EP2298769A1
9960-EP2298731A1
9960-EP2298312A1
9960-EP2295550A2
9960-EP2308845A2
9960-EP2277870A1
16196-EP2272846A1
16196-EP2280009A1
16196-EP2281563A1
16196-EP2292613A1
16196-EP2298742A1
16196-EP2305633A1
16196-EP2316459A1
InChI=1/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H
Microorganism:

Yes

IUPAC name2,3,4,5-tetrahydropyridine
SMILESC1CCN=CC1
InchiInChI=1S/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H2
FormulaC5H9N
PubChem ID68161
Molweight83.134
LogP0.53
Atoms15
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes


2-ethyl-3,5,6-trimethylpyrazine

Compound Details

Synonymous names
Trimethylethylpyrazine
Ethyltrimethylpyrazine
ETHYLTRIMETHYL-PYRAZINE
FPOLJKZKOKXIFE-UHFFFAOYSA-N
Pyrazine, ethyltrimethyl
Pyrazine, ethyltrimethyl-
HGS2G1S1XY
AC1L1FI7
UNII-HGS2G1S1XY
8990AA
CTK4D4842
SCHEMBL3457245
AK123359
HE155673
FCH861434
ZINC2018015
DTXSID10169738
AX8247537
AJ-32650
KB-230396
AKOS006290969
6-Ethyl-2,3,5-trimethylpyrazine
2,3,6-Trimethyl-5-ethylpyrazine
2,3,5-Trimethyl-6-ethylpyrazine
2-ETHYL-3,5,6-TRIMETHYLPYRAZINE
I14-13678
17398-16-2
Pyrazine, 2-ethyl-3,5,6-trimethyl-
Microorganism:

Yes

IUPAC name2-ethyl-3,5,6-trimethylpyrazine
SMILESCCC1=NC(=C(N=C1C)C)C
InchiInChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
FormulaC9H14N2
PubChem ID28518
Molweight150.225
LogP0.76
Atoms25
Bonds25
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaSulfitobacter Pontiacus BIO-007n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaSulfitobacter Pontiacus BIO-007n/an/a


2,3,5-trimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
TRIMETHYLPYRAZINE
IAEGWXHKWJGQAZ-UHFFFAOYSA-N
trimethyl pyrazine
AC1L1BXH
Q8PR0W8TIT
Pyrazine, trimethyl-
PubChem8613
UNII-Q8PR0W8TIT
KSC491G1B
ACMC-1BY58
7269AA
CTK3J1310
SCHEMBL107646
VP40007
CHEMBL320146
2,3,6-Trimethylpyrazine
2,3,5-Trimethylpyrazine
ZINC406999
CCRIS 2932
AK114354
LS-3140
ZB013735
HE143577
HE000396
DTXSID1047075
FCH1115105
SC-57940
DSSTox_GSID_47075
KB-16610
TRA0080217
AJ-22552
CJ-04110
CC-06738
AN-17422
ANW-21023
AX8010043
2,3,5-Trimethylpyrazine, analytical standard
AC-10654
DSSTox_CID_27075
MFCD00006145
C-00829
2,3,5-Trimethyl-pyrazine
2,3,5-Trimethyl pyrazine
ZINC00406999
DSSTox_RID_82089
ST51038047
ST24032258
TR-005827
RTR-005827
AI3-34442
DB-003800
Q-100171
AKOS015842577
I14-0728
FEMA No. 3244
FT-0609461
BRN 0002423
Pyrazine, 2,3,5-trimethyl
Tox21_302314
2,3,5-Trimethylpyrazine, 99%
MCULE-8809596878
Pyrazine, 2,3,5-trimethyl-
NCGC00256135-01
2,3,5-Trimethyl pyrazine (natural)
EINECS 238-712-0
14667-55-1
124765-77-1
CAS-14667-55-1
MolPort-002-497-752
2,3,5-Trimethylpyrazine, natural, >=95%, FG
2,3,5-Trimethylpyrazine, >=99%, FCC, FG
InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H
Microorganism:

Yes

IUPAC name2,3,5-trimethylpyrazine
SMILESCC1=CN=C(C(=N1)C)C
InchiInChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
FormulaC7H10N2
PubChem ID26808
Molweight122.171
LogP-0.07
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacteria-Bacteroides GroupIt is involved in fruit fly attraction to bacteria.Schulz and Dickschat, 2007
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Fungi Aspergillus Sp.Dickschat 2024
Fungi Fusarium Sp.Dickschat 2019
FungiPleurotus CystidiosusnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaEnterobacter Agglomeransno
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
Fungi Aspergillus Sp.no
Fungi Fusarium Sp.no
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo


2,3,5,6-tetramethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
Tetramethylpyrazin
TETRAMETHYLPYRAZINE
Chuanxiongzine
chuanxingzine
Ligustrazine
Liqustrazine
Tetrapyrazine
Ligustizine
FINHMKGKINIASC-UHFFFAOYSA-
FINHMKGKINIASC-UHFFFAOYSA-N
TMPZ
Bs factor
Pyrazine, tetramethyl-
PubChem8617
V80F4IA5XG
AC1L23J7
H601
KSC491G1N
ZINC4042
CT0189
SCHEMBL77624
UNII-V80F4IA5XG
CTK3J1316
N1918
2,5,6-Tetramethylpyrazine
ACMC-2099er
CHEMBL303697
NSC36080
NSC46451
FEMA 3237
HMS2235K03
HMS3371J08
BBL012277
BT000139
DTXSID6047070
HE000625
HE143578
HE296334
LS-3117
Opera_ID_849
SBB085945
STL163591
SY011353
ZB000557
A802574
M-4966
AC-10515
AJ-08191
AK-47432
AN-20604
ANW-16465
BR-47432
CJ-00093
DSSTox_GSID_47070
KB-81076
NSC 36080
NSC 46451
NSC-36080
NSC-46451
SC-43874
TRA0067329
ACN-S003305
BB_NC-2565
CHEBI:133246
DSSTox_CID_27070
DSSTox_RID_82085
MFCD00006146
ZINC00004042
2,3,5,6-Tetramethylpyrazine
AM20070299
CCG-207974
DB-003786
RTR-002428
ST24032257
ST45025457
TR-002428
AKOS003398567
I14-0730
Q-100069
FEMA No. 3237
FT-0609443
MLS000069594
Nat.2,3,5,6-Tetramethylpyrazine
SMR000059042
2,3,5,6-Tetramethylpyrazine, analytical standard
2,3,5,6-Tetramethyl pyrazine
2,3,5,6-Tetramethyl-pyrazine
Tox21_302313
Z1741976694
1124-11-4
MCULE-2834033564
NCGC00247063-01
NCGC00256097-01
2,3,5,6-Tetramethylpyrazine (natural)
EINECS 214-391-2
Pyrazine, 2,3,5,6-tetramethyl
87396-75-6
93615-56-6
CAS-1124-11-4
2,3,5,6-Tetramethylpyrazine, 98%
MolPort-002-473-658
Pyrazine, 2,3,5,6-tetramethyl-
AC-907/25014219
76494-51-4 (hydrochloride)
2,3,5,6-TETRAMETHYL-1,4-PYRAZINE
2,3,5,6-Tetramethylpyrazine, >=98%, FG
2,3,5,6,-Tetramethyl-1,4-pyrazine
2,3,5,6-Tetramethylpyrazine, natural, >=98%, FG
2,3,5,6-Tetramethylpyrazine, Vetec(TM) reagent grade, 98%
InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
Microorganism:

Yes

IUPAC name2,3,5,6-tetramethylpyrazine
SMILESCC1=C(N=C(C(=N1)C)C)C
InchiInChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
FormulaC8H12N2
PubChem ID14296
Molweight136.198
LogP0.06
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Spp.n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaBacillus Amyloliquefaciens IN937atriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis 168triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis GB03triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Hongkongensis Strain Bio-204n/aDickschat et al., 2005_6
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStappia Marina Strain DFL-11n/aDickschat et al., 2005_6
BacteriaSulfitobacter Dubius BIO-205n/aDickschat et al., 2005_6
BacteriaSulfitobacter Pontiacus BIO-007n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Spp.n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaBacillus Amyloliquefaciens IN937aMurashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis 168Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis GB03Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Hongkongensis Strain Bio-204n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStappia Marina Strain DFL-11n/an/a
BacteriaSulfitobacter Dubius BIO-205n/an/a
BacteriaSulfitobacter Pontiacus BIO-007n/an/a


2,4-dimethyl-1,3-oxazole

Compound Details

Synonymous names
DimethylOxazole
PSOZJOZKEVZLKZ-UHFFFAOYSA-N
AC1L3DYH
Oxazole, dimethyl-
PubChem8635
2,4-Dimethyloxazole
CTK1C6915
D3766
2,4-DIMETHYL-OXAZOLE
NE11420
ACMC-2097ku
2,4-dimethyl oxazole
HE345203
HE143667
AK164479
HE027548
ZINC6072081
A837415
DTXSID60222408
ANW-14092
AB1006073
TRA0072498
MFCD00234124
ZINC06072081
DB-074523
ST51055084
TC-102837
KB-164819
KB-164836
AKOS006280508
I14-4134
I14-6318
FT-0657045
Oxazole, 2,4-dimethyl-
FT-0654587
2,4-Dimethyl-1,3-oxazole
7208-05-1
2,4-Dimethyl-1,3-oxazole #
489438-20-2
MolPort-003-984-798
InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H
Microorganism:

Yes

IUPAC name2,4-dimethyl-1,3-oxazole
SMILESCC1=COC(=N1)C
InchiInChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
FormulaC5H7NO
PubChem ID138961
Molweight97.117
LogP0.17
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical Classificationazoles nitrogen compounds ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaShewanella Algae YM10inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaShewanella Algae YM10NA mediumSPME-GC/MSYes


2,4,6-trimethylpyridine

Mass-Spectra

Compound Details

Synonymous names
BWZVCCNYKMEVEX-UHFFFAOYSA-N
COLLIDINE
gamma-Collidine
sym-Collidine
g-Collidine
s-Collidine
alpha,gamma,alpha'-Collidine
AC1L1PXL
ACMC-1BTAS
AC1Q2QL6
Collidine (Related)
.gamma.-Collidine
7IE4BK5J5V
alpha,gamma,alpha inverted exclamation mark -collidine
NSC460
SCHEMBL7489
a,g,a'-Collidine
H604
HSDB 57
KSC490Q7P
PubChem15898
UNII-7IE4BK5J5V
CTK3J0877
T0716
2,4,6-Trimethylpyridinium
AN-192
NSC 460
NSC-460
RP17899
STR03652
2,4,6 Trimethylpyridine
2,4,6-Trimethylpyridine
AK140112
BBL027576
CHEMBL1209580
DTXSID1051561
HE027274
HE134153
PS-5252
SBB060376
STL146741
Pyridine,4,6-trimethyl-
AJ-67947
ANW-15977
BP-30156
CJ-15232
KB-67367
SC-25605
ST2403651
TRA0078965
.alpha.,.alpha.'-Collidine
2,4,6 COLLIDINE
2,4,6-COLLIDINE
2,4,6-Collinine
2,4,6-Kollidin
2,4,6-tri-methylpyridine
2,4,6-trimethyl pyridine
2,4,6-trimethyl-pyridin
2,4,6-trimethyl-pyridine
BB_SC-9443
BDBM50416505
MFCD00006338
ZINC15858174
AI3-10050
DB-015912
LS-132120
NCIOpen2_009389
RTR-001992
ST51046565
TR-001992
AKOS000119121
Q-200178
BRN 0107283
FT-0609910
2,4,6- collidine
pyridine,2,4,6-trimethyl-
108-75-8
F0001-0178
Z1250132535
MCULE-3564511532
Pyridine, 2,4,6-trimethyl-
EINECS 203-613-3
.alpha.,.gamma.,.alpha.'-Collidine
2,4,6-Kollidin [Czech]
MolPort-001-768-507
50757-EP2292615A1
50757-EP2295415A1
50757-EP2311824A1
66301-EP2277878A1
66301-EP2281819A1
66301-EP2295441A2
66301-EP2308851A1
133907-EP2295430A2
133907-EP2295431A2
2,4,6-Trimethylpyridine, ReagentPlus(R), 99%
2,4,6-Collidine (2,4,6-Trimethylpyridine)
2,4,6-Collidine, 99% 25ml
2,4,6-Trimethylpyridine, Vetec(TM) reagent grade, 98%
2,4,6-Trimethylpyridine, >=98.0% (GC)
5-20-06-00093 (Beilstein Handbook Reference)
2,4,6-Trimethylpyridine, puriss. p.a., >=99.0% (GC)
InChI=1/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H
Microorganism:

Yes

IUPAC name2,4,6-trimethylpyridine
SMILESCC1=CC(=NC(=C1)C)C
InchiInChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
FormulaC8H11N
PubChem ID7953
Molweight121.183
LogP1.53
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationPyridine pyridines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
170.4 deg CLewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 288
Volatilization
The Henry's Law constant for 2,4,6-trimethylpyridine is estimated as 8.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2 mm Hg(1), and water solubility, 3.5X10+4 mg/l(2). This Henry's Law constant indicates that 2,4,6-trimethylpyridine is expected to volatilize 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 3.1 days(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 38 days(SRC). 2,4,6-Trimethylpyridine's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, the pKa of 2,4,6-trimethylpyridine is 7.4(4) which suggests that volatilization from water surfaces is expected to be attenuated slightly since ions are not expected to volatilize(SRC). 2,4,6-Trimethylpyridine is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983) (2) Budavari S, ed; The Merck Index. Whitehouse Station, NJ: Merck and Co Inc, p. 1656 (1996) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Perrin DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Ser, Buttersworth, London (1965)
Solubility
Sol in methanol, ethanol, chloroform, benzene, toluene, and dil acids; miscible with ether
Literature: Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1656
Literature: #Sol in acetone
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-301
Literature: #Sol in water (in g/100 ml water): 20.8 g @ 6 deg C, 3.5 g @ 20 deg C, 1.8 g @ 100 deg C
Literature: Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1656
Soil Adsorption
The Koc of 2,4,6-trimethylpyridine is estimated as 250(SRC), using a log Kow of 1.9(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,4,6-collidine is expected to have moderate mobility in soil(SRC). The pKa of 2,4,6-trimethylpyridine is 7.4(4), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
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. 45 (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) Perrin DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Baca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.99 mm Hg @ 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS


2,5-di(propan-2-yl)pyrazine

Compound Details

Synonymous names
LXJYUERPFWUCNN-UHFFFAOYSA-N
2,5-diisopropylpyrazine
AK201676
SCHEMBL5950443
MFCD18449282
ZINC15119200
AKOS006370977
24294-83-5
InChI=1/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H
Microorganism:

Yes

IUPAC name2,5-di(propan-2-yl)pyrazine
SMILESCC(C)C1=CN=C(C=N1)C(C)C
InchiInChI=1S/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H3
FormulaC10H16N2
PubChem ID11491990
Molweight164.252
LogP2.29
Atoms28
Bonds28
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds nitogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2Is an attractant of Carpophilus beetles.Schulz et al., 2004
BacteriaChondromyces Crocatus Cm C5Is an attractant of Carpophilus beetles.Schulz et al., 2004
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaChondromyces CrocatusThis compound is an attractant of the pineapple beetle Carpophilus humeralis.Schulz and Dickschat, 2007
BacteriaPaenibacillus PolymyxaThis compound is an attractant of the pineapple beetle Carpophilus humeralis.Schulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaPaenibacillus Polymyxan/an/a


2,5-bis(2-methylpropyl)pyrazine

Compound Details

Synonymous names
WSRPXRPLNPKUCF-UHFFFAOYSA-N
2,5-Diisobutylpyrazine
CTK2A0673
HE374145
SCHEMBL6466753
DTXSID60508097
2,5-bis(2-methylpropyl)pyrazine
AKOS006373981
65032-04-4
Pyrazine, 2,5-bis(2-methylpropyl)-
InChI=1/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H
Microorganism:

Yes

IUPAC name2,5-bis(2-methylpropyl)pyrazine
SMILESCC(C)CC1=CN=C(C=N1)CC(C)C
InchiInChI=1S/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H3
FormulaC12H20N2
PubChem ID12722500
Molweight192.306
LogP2.66
Atoms34
Bonds34
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaPaenibacillus Polymyxan/an/a