Results for:
chemical Classification: pyridines

7-methyl-1,8-naphthyridin-2-amine

Compound Details

Synonymous names
ZIFGWWCUONMOLI-UHFFFAOYSA-N
AMND
AC1LC4Y2
4934AD
CTK0E7392
BBL003691
STK895670
SCHEMBL2901701
FCH919566
AK118008
HE034265
W-4121
Ambcb4017230
DTXSID70344100
AJ-84975
AB0134438
MFCD06408360
ZINC32198129
ZX-AN011716
ZX-CM004772
ALBB-012928
AKOS005173872
I05-1472
J-009351
FT-0645252
3B1-001720
2-methyl-7-amino-1,8-naphthyridine
2-Amino-7-methyl-1,8-naphthyridine
7-methyl-1,8-naphthyridin-2-amine
MCULE-9955824237
1568-93-0
7-Methyl[1,8]naphthyridin-2-amine #
MolPort-000-165-135
1,8-Naphthyridine, 2-amino-7-methyl-
1,8-Naphthyridin-2-amine, 7-methyl-
Microorganism:

Yes

IUPAC name7-methyl-1,8-naphthyridin-2-amine
SMILESCC1=NC2=C(C=C1)C=CC(=N2)N
InchiInChI=1S/C9H9N3/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h2-5H,1H3,(H2,10,11,12)
FormulaC9H9N3
PubChem ID594420
Molweight159.192
LogP1.14
Atoms21
Bonds22
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines pyridines naphthyridines nitrogen containing compounds heterocyclic compounds nitogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaHaemophilus Influenzaehumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLegionella Pneumophilablood cultureSPME/GC-MS No
BacteriaMoraxella Catarrhalisblood cultureSPME/GC-MS No
BacteriaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno


1-pyridin-2-ylethanone

Mass-Spectra

Compound Details

Synonymous names
METHYLPYRIDYLKETONE
Acetylpyridine
AJKVQEKCUACUMD-UHFFFAOYSA-N
Acetyl pyridine
2-ETHANOYLPYRIDINE
2-ACETYLPYRIDINE
2-Acetopyridine
2-Pyridylmethyl ketone
2-Acetylpyridine, analytical standard
ACMC-1BTLA
2-acetyl pyridine
2-acetyl-pyridine
2-ACETYL-PYRIDIE
AC1L23IE
2-Pyridyl methyl ketone
Methyl 2-pyridyl ketone
AC1Q1K06
KSC176M5L
L152
1-Pyridin-2-ylmethanone
CHEMBL11945
PubChem13363
RW2018
SCHEMBL55127
1-pyridin-2-ylethanone
2-Acetylpyridine (natural)
A0111
CTK0H6655
H2353
AB00686
ACT06583
Ketone, methyl 2-pyridyl
LS-563
NSC15043
RP19411
UNII-AQQ7807JD8 component AJKVQEKCUACUMD-UHFFFAOYSA-N
2-Acetylpyridine, >=99%
629O10UI3L
CCRIS 7784
FEMA 3251
HMS2268O15
BBL009941
DTXSID7024409
HE009169
HE093046
HE333494
SBB058824
STL145899
1-(2-Pyridinyl)ethanone
1-Pyridin-2-yl-ethanone
DSSTox_CID_4409
M-6307
UNII-629O10UI3L
ZINC1655483
1-(2-PYRIDYL)ETHANONE
2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard
AJ-28853
AK-53417
AN-20600
ANW-16432
BR-53417
CJ-05984
CJ-26772
DSSTox_GSID_24409
KB-13229
NSC 15043
NSC-15043
SC-19071
ST2408618
TL8006114
TRA0050856
BB_SC-6522
BDBM50026891
DSSTox_RID_77390
MFCD00006303
ZINC01655483
1-(2-Pyridinyl)ethanone #
AI3-52210
AM20061676
CS-W008602
DB-015932
RTR-002399
ST51038532
TR-002399
1-(2-PYRIDINYL)-ETHANONE
1-(pyridin-2-yl)ethanone
AKOS000119795
Q-100067
2-Acetylpyridine, >=99%, FG
FEMA No. 3251
FT-0610981
MLS002152864
SMR000112288
Ethanone, 1-(pyridinyl)-
AZ0001-0160
Tox21_201499
Tox21_303104
F0001-0271
Z1250132541
1122-62-9
MCULE-7714885820
NCGC00091706-01
NCGC00091706-02
NCGC00256952-01
NCGC00259050-01
EINECS 214-355-6
30440-88-1
Ethanone, 1-(2-pyridinyl)-
CAS-1122-62-9
1-(Pyridin-2-Yl)Ethan-1-One
MolPort-001-769-090
58805-EP2305682A1
58805-EP2308879A1
121411-EP2287940A1
121411-EP2299509A1
InChI=1/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H
Microorganism:

Yes

IUPAC name1-pyridin-2-ylethanone
SMILESCC(=O)C1=CC=CC=N1
InchiInChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
FormulaC7H7NO
PubChem ID14286
Molweight121.139
LogP0.7
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyridine Ketones Pyridins nitrogen containing compounds pyridines

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaEnterobacter Agglomeransn/aSchulz and Dickschat, 2007
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaEnterobacter Agglomeransn/an/a
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo


2-ethyl-5-methylpyridine

Mass-Spectra

Compound Details

Synonymous names
COHDGTRFTKHYSJ-UHFFFAOYSA-N
AC1LASIW
2-Ethyl-5-methylpyridine
6-Ethyl-3-methylpyridine
9500AA
CTK0E3022
SCHEMBL469189
2-ETHYL-5-METHYL-PYRIDINE
5-Methyl-2-ethyl pyridine
HE028602
AX8216447
KB-68620
FCH1163456
DTXSID20334051
ANW-68991
AK-55014
AJ-84784
ZINC32150481
TC-157736
AKOS016005917
Pyridine, 2-ethyl-5-methyl-
18113-81-0
Microorganism:

Yes

IUPAC name2-ethyl-5-methylpyridine
SMILESCCC1=NC=C(C=C1)C
InchiInChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3
FormulaC8H11N
PubChem ID519519
Molweight121.183
LogP2.1
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationpyridines nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Aspergillus ClavatusSeifert and King 1983
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Aspergillus Clavatusno


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-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


2,4,6-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


3-methylquinoline

Compound Details

Synonymous names
beta-Methylquinoline
DTBDAFLSBDGPEA-UHFFFAOYSA-N
3-METHYLQUINOLINE
3-methyl-quinoline
AC1L1YG9
3-MQL
1YC9RBW2G0
SCHEMBL2938
PubChem2344
U296
AM1098
UNII-1YC9RBW2G0
ACMC-209mql
M0782
AMPD00176
CTK2F3293
c0070
CHEMBL195661
3-Methyl-1-benzazine
3-Methylquinoline, 99%
CCRIS 2896
HE000807
NSC109149
Quinoline, 3-methyl-
Q-7593
ZINC1701249
A833130
CHEBI:20140
CJ-06693
ST2410810
AB0019190
SC-05734
AC-27345
AJ-30499
AK-72496
AN-46500
KB-32648
ANW-33739
CJ-28723
DTXSID60210108
ZINC01701249
MFCD00014661
BDBM50159256
LS-142038
RTX-011928
ST50823862
DB-053823
NSC 109149
NSC-109149
I14-1286
AKOS002337541
TRA-0205821
FT-0616179
BRN 0110325
FT-0616180
EN300-79890
612-58-8
Z1259339761
MCULE-2515343093
EINECS 210-315-7
MolPort-016-891-173
Quinoline, 3-methyl- (7CI,8CI,9CI)
5-20-07-00388 (Beilstein Handbook Reference)
InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H
Microorganism:

Yes

IUPAC name3-methylquinoline
SMILESCC1=CC2=CC=CC=C2N=C1
InchiInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
FormulaC10H9N
PubChem ID11926
Molweight143.189
LogP2.64
Atoms20
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids pyridines nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Agilis UMCV2LB medium/NA mediumSPME-GC/MSNo


3,4-dimethyl-1H-quinolin-2-one

Compound Details

Synonymous names
OITTVGIRLCPSNN-UHFFFAOYSA-N
AC1Q6HXY
3,4-Dimethylcarbostyril
AC1L6JW4
Carbostyril,4-dimethyl-
CTK4D4612
2-Hydroxy-3,4-dimethylquinoline
SCHEMBL6220014
NSC108444
HE126977
ZINC8649176
DTXSID00296229
SCHEMBL13467803
Carbostyril, 3,4-dimethyl-
NSC-108444
AKOS022505169
AKOS030538264
3,4-dimethyl-quinolin-2-ol
2(1H)-Quinolinone,4-dimethyl-
3,4-dimethylquinolin-2(1h)-one
3,4-dimethyl-1H-quinolin-2-one
17336-90-2
3,4-Dimethyl-2(1H)-quinolinone #
2(1H)-Quinolinone, 3,4-dimethyl-
Microorganism:

Yes

IUPAC name3,4-dimethyl-1H-quinolin-2-one
SMILESCC1=C(C(=O)NC2=CC=CC=C12)C
InchiInChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6H,1-2H3,(H,12,13)
FormulaC11H11NO
PubChem ID268261
Molweight173.215
LogP2.29
Atoms24
Bonds25
H-bond Acceptor1
H-bond Donor1
Chemical Classificationnitrogen compounds benzenoids amides pyridines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Cincholepidine
gamma-Methylquinoline
Lepidine
MUDSDYNRBDKLGK-UHFFFAOYSA-N
p-Methylquinoline
Lepidene
Lepidin
4-METHYLQUINOLINE
p-methyl quinoline
AC1L1UVN
AC1Q2RAJ
4-Lepidine
ACMC-1AHYH
.gamma.-Methylquinoline
4-methyl quinoline
4-methyl-quinoline
quinol-4-ylmethane
CHEMBL9734
L758
KSC235Q6N
NSC3412
Lepidine (4-Methylquinoline)
SCHEMBL31559
Lepidine, 99%
CTK1D5866
L0024
STR06140
RP20851
4-Methylquinoline, >=99%
CCRIS 2894
HSDB 7153
A22510
A15593
Quinoline, 4-methyl-
HE000809
HE345242
DTXSID7047067
SBB058784
NSC-3412
PS-3771
NSC 3412
M-5284
ZINC1666750
CHEBI:48983
CJ-26989
SC-12713
SC-15612
ST2413199
LS-87752
AJ-29036
DSSTox_GSID_47067
AK-49826
AN-21392
KB-39726
ANW-30727
BR-49826
DSSTox_RID_82083
DSSTox_CID_27067
Lepidine (6CI,8CI)
3S211042
MFCD00006784
3S110963
ZINC01666750
TC-020151
AI3-24277
ST50823863
DB-013319
TX-017072
116169T3O8
AKOS000119150
J-515822
FT-0627792
UNII-116169T3O8
FT-0659357
FT-0083296
BRN 0110926
Z966690984
Tox21_301829
491-35-0
NCGC00184238-02
MCULE-8999201921
NCGC00184238-01
NCGC00256086-01
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
CAS-491-35-0
EINECS 207-734-2
Quinoline, 4-methyl- (9CI)
MolPort-001-781-554
3007-43-0 (hydrochloride)
5-20-07-00389 (Beilstein Handbook Reference)
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
Microorganism:

Yes

IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.189
LogP2.64
Atoms20
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBicyclo N-Compounds benzenoids pyridines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
261-263 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. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
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. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation 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. 68 (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. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


5-methylthieno[3,2-b]pyridine

Compound Details

Synonymous names
FLWXYOZWTCSAQC-UHFFFAOYSA-N
AC1LBY8F
SCHEMBL424668
5-Methylthieno[3,2-b]pyridine
1759-29-1
Thieno[3,2-b]pyridine, 5-methyl-
Microorganism:

Yes

IUPAC name5-methylthieno[3,2-b]pyridine
SMILESCC1=NC2=C(C=C1)SC=C2
InchiInChI=1S/C8H7NS/c1-6-2-3-8-7(9-6)4-5-10-8/h2-5H,1H3
FormulaC8H7NS
PubChem ID591057
Molweight149.21
LogP2.15
Atoms17
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical Classificationpyridines heterocylic compounds nitrogen compounds sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaHaemophilus Influenzaeblood cultureSPME/GC-MS No
BacteriaLegionella Pneumophilablood cultureSPME/GC-MS No
BacteriaMoraxella Catarrhalisblood cultureSPME/GC-MS No


Methyl Pyridine-3-carboxylate

Mass-Spectra

Compound Details

Synonymous names
Methylnicotinate
3-Carbomethoxypyridine
METHYL NICOTINATE
Methyl-nicotinate
Nicometh
YNBADRVTZLEFNH-UHFFFAOYSA-N
Nikomet
3PyrCOOMe
Methyl 3-pyridinecarboxylate
niconacid methyl ester
Methyl nicotinate, analytical standard
Nicotinic acid methyl
pellagra preventive factor methyl ester
Heat spray
m-(Methoxycarbonyl)pyridine
niacin methyl ester
Nicotinic acid methyl ester
AC1Q5ZBZ
methyl pyridine-3-carboxylate
3-(Methoxycarbonyl)pyridine
7B1AVU9DJN
3-(Carbomethoxy)pyridine
AC1L1O4J
ACMC-20aioj
Nicotinic acid, methyl ester
UNII-7B1AVU9DJN
3-Picolinic acid methyl ester
3-Picolinic acid methyl ester;Methyl nicotinate
3-Pyridinecarboxylic acid, methyl ester
KSC274Q6R
Methyl nicotinate (USAN)
pyridine-3-carboxylic acid methyl ester
ZINC1706
FC1289
PubChem11724
SCHEMBL24566
Methyl nicotinate, 99%
Methyl nicotinate, European Pharmacopoeia (EP) Reference Standard
N0086
CHEMBL379845
CM10959
LS20584
Methyl ester of pyridine-3-carboxylic acid
NSC13126
3-Picolinic acid methyl ester
D04991
HMS1775A18
BBL012574
CS-D1355
DTXSID7044471
GS-3032
HE030325
HE417717
Heat spray (TN)
NSC403799
SBB040924
STK803258
M-5948
WLN: T6NJ CVO1
AB0007776
AB1000383
AC-22482
AJ-08072
AK-47410
AN-24267
ANW-75137
BR-47410
DSSTox_GSID_44471
LS-96585
NSC 13126
NSC-13126
SC-18077
ST2413502
TL8005930
BB_SC-6260
CHEBI:134761
DSSTox_CID_24471
DSSTox_RID_80253
Methyl nicotinate, >=99%, FG
MFCD00006388
rarechem al bf 0185
ZINC00001706
AI3-19241
AM20061626
DB-031973
KB-236868
NSC-403799
ST45174806
TR-032937
AKOS000119439
Q-201381
BRN 0113951
FEMA No. 3709
93-60-7
Tox21_111702
Tox21_302038
CAS-93-60-7
MCULE-2161067131
NCGC00159479-02
NCGC00159479-03
NCGC00159479-05
NCGC00255708-01
EINECS 202-261-8
SR-01000944497
Tox21_111702_1
123574-61-8
MolPort-000-872-088
AC-907/25014170
SR-01000944497-1
Methyl nicotinate, puriss., >=99.0% (GC)
5-22-02-00059 (Beilstein Handbook Reference)
InChI=1/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H
Microorganism:

Yes

IUPAC namemethyl pyridine-3-carboxylate
SMILESCOC(=O)C1=CN=CC=C1
InchiInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
FormulaC7H7NO2
PubChem ID7151
Molweight137.138
LogP0.76
Atoms17
Bonds17
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationEsters pyridines nitrogen compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS


Pyridine

Mass-Spectra

Compound Details

Synonymous names
Pentadeuteropyridine
Azabenzene
JUJWROOIHBZHMG-UHFFFAOYSA-N
Piridina
Pirydyna
PYRIDINE
pyridine fraction
Pyridin
Azine
pyridine-ring
Pyridine, analytical standard
pyridine-
Pyridine, anhydrous
0PY
AC1Q2ARA
2-pyridinyl
4-pyridinyl
PYRIDINE, ACS
Pyridine, ACS reagent
AC1L1AM2
AC1Q2AR9
Pyridine, HPLC Grade
NH9L3PP67S
Piridina [Italian]
Pirydyna [Polish]
TRANSGENIC LECM (PYRIDINE)
Pyridin [German]
PYRIDINE- D5
Pyridine, pharmaceutical secondary standard; traceable to USP
CP 32
LS-13
Pyridine, >=99%
Pyridine, spectrophotometric grade, >=99%
UN1282
UNII-NH9L3PP67S
WLN: T6NJ
CTK0H7158
HMDB00926
HSDB 118
P0549
Pyridine, 99%
Q0034
Q0045
X4374
CHEMBL266158
RP17908
bmse000432
C00747
CCRIS 2926
LTBB002420
RCRA waste number U196
ZINC895354
DNC004080
DTXSID9021924
FEMA Number 2966
HE027241
HE095340
HE100352
HE104240
HE295400
HE313916
HE420381
NSC141574
NSC406123
STL264195
UN 1282
ZB015028
300181X
A802257
ACMC-20a483
CHEBI:16227
DSSTox_CID_1924
NCI-C55301
POLY(3 5-PYRIDINEDIYL)
PYRIDINE (15N)
AB1007260
AJ-24181
AN-22628
ANW-41400
ANW-56401
BP-13452
CJ-04471
DSSTox_GSID_21924
Caswell No. 717
DSSTox_RID_76405
MFCD00011732
Pyridine, LR, >=99%
ZINC00895354
AI3-01240
NCIOpen2_002809
NCIOpen2_007786
NCIOpen2_007866
NCIOpen2_007986
NCIOpen2_007999
NSC 406123
NSC-141574
NSC-406123
RTR-002198
TR-002198
AKOS000120998
EPA Pesticide Chemical Code 069202
Epitope ID:140099
I02-1797
J-002482
RCRA waste no. U196
FEMA No. 2966
FT-0632826
FT-0646882
FT-0654216
FT-0658212
FT-0658683
Pyridine, anhydrous, 99.8%
Pyridine, ReagentPlus(R), >=99%
Pyridine, purification grade, >=99.75%
Pyridine, suitable for hydroxyl value determination, >=99.5%
NCI60_006101
Tox21_200960
110-86-1
F0001-0227
Pyridine, ACS reagent, >=99.0%
Pyridine, AR, >=99.5%
Pyridine, 99% 500ml
Pyridine, for HPLC, >=99.9%
Pyridine, JIS special grade, >=99.5%
6999-00-4
7291-22-7
MCULE-4028120692
NCGC00091476-01
NCGC00091476-02
NCGC00258513-01
Pyridine, SAJ first grade, >=99.0%
CAS-110-86-1
EINECS 203-809-9
Pyridine, biotech. grade, >=99.9%
Pyridine, p.a., 99%
45410-39-7
62301-32-0
82005-06-9
85404-19-9
85404-20-2
Pyridine [UN1282] [Flammable liquid]
Pyridine, >=99.5% (GC)
152758-95-7
163392-20-9
628-13-7 (hydrochloride)
733733-47-6
857961-06-9
1175-EP0930075A1
1175-EP1441224A2
1175-EP2269977A2
1175-EP2269978A2
1175-EP2269985A2
1175-EP2269986A1
1175-EP2269989A1
1175-EP2269990A1
1175-EP2269991A2
1175-EP2269992A1
1175-EP2269993A1
1175-EP2270001A1
1175-EP2270002A1
1175-EP2270003A1
1175-EP2270004A1
1175-EP2270006A1
1175-EP2270008A1
1175-EP2270010A1
1175-EP2270011A1
1175-EP2270014A1
1175-EP2270015A1
1175-EP2270017A1
1175-EP2270018A1
1175-EP2270113A1
1175-EP2270114A1
1175-EP2270505A1
1175-EP2272509A1
1175-EP2272510A1
1175-EP2272516A2
1175-EP2272517A1
1175-EP2272537A2
1175-EP2272813A2
1175-EP2272817A1
1175-EP2272822A1
1175-EP2272825A2
1175-EP2272826A1
1175-EP2272827A1
1175-EP2272828A1
1175-EP2272832A1
1175-EP2272834A1
1175-EP2272835A1
1175-EP2272837A1
1175-EP2272838A1
1175-EP2272839A1
1175-EP2272840A1
1175-EP2272841A1
1175-EP2272844A1
1175-EP2272845A2
1175-EP2272849A1
1175-EP2272935A1
1175-EP2272972A1
1175-EP2272973A1
1175-EP2274983A1
1175-EP2275105A1
1175-EP2275395A2
1175-EP2275398A1
1175-EP2275401A1
1175-EP2275404A1
1175-EP2275409A1
1175-EP2275410A1
1175-EP2275411A2
1175-EP2275412A1
1175-EP2275414A1
1175-EP2275418A1
1175-EP2275420A1
1175-EP2275425A1
1175-EP2277848A1
1175-EP2277858A1
1175-EP2277861A1
1175-EP2277865A1
1175-EP2277867A2
1175-EP2277872A1
1175-EP2277875A2
1175-EP2277877A1
1175-EP2277878A1
1175-EP2277880A1
1175-EP2277881A1
1175-EP2279750A1
1175-EP2280000A1
1175-EP2280001A1
1175-EP2280002A1
1175-EP2280003A2
1175-EP2280004A1
1175-EP2280005A1
1175-EP2280007A1
1175-EP2280008A2
1175-EP2280009A1
1175-EP2280011A1
1175-EP2280012A2
1175-EP2280020A1
1175-EP2280021A1
1175-EP2280948A1
1175-EP2280957A1
1175-EP2281563A1
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1175-EP2298750A1
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1175-EP2311797A1
1175-EP2311798A1
1175-EP2311799A1
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1175-EP2311802A1
1175-EP2311803A1
1175-EP2311806A2
1175-EP2311807A1
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1175-EP2311809A1
1175-EP2311810A1
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1175-EP2311821A1
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1175-EP2315303A1
1175-EP2315502A1
1175-EP2316450A1
1175-EP2316452A1
1175-EP2316457A1
1175-EP2316459A1
1175-EP2316470A2
1175-EP2316824A1
1175-EP2316825A1
1175-EP2316826A1
1175-EP2316827A1
1175-EP2316829A1
1175-EP2316831A1
1175-EP2316832A1
1175-EP2316833A1
1175-EP2316834A1
1175-EP2316835A1
1175-EP2316836A1
1175-EP2316905A1
1175-EP2316906A2
1175-EP2316974A1
1175-EP2371811A2
1175-EP2371812A1
1175-EP2371814A1
1175-EP2371831A1
1175-EP2372804A1
1175-EP2374454A1
1175-EP2374783A1
1175-EP2374788A1
1175-EP2374790A1
1175-EP2374792A1
1175-EP2377510A1
1175-EP2377813A1
1175-EP2377841A1
1175-EP2378585A1
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1175-EP2380867A1
1175-EP2380869A1
1175-EP2380870A1
1175-EP2380874A2
543-54-4 (monosulfate)
MolPort-000-872-057
Pyridine [UN1282] [Flammable liquid]
14835-EP2272517A1
14835-EP2272846A1
14835-EP2277868A1
14835-EP2277869A1
14835-EP2277870A1
14835-EP2280002A1
14835-EP2280011A1
14835-EP2280948A1
14835-EP2284166A1
14835-EP2287158A1
14835-EP2292592A1
14835-EP2292608A1
14835-EP2292625A1
14835-EP2295422A2
14835-EP2295436A1
14835-EP2298305A1
14835-EP2298749A1
14835-EP2298750A1
14835-EP2298769A1
14835-EP2298773A1
14835-EP2305657A2
14835-EP2308852A1
14835-EP2308866A1
14835-EP2308878A2
14835-EP2311806A2
14835-EP2316457A1
14835-EP2316830A2
14835-EP2371806A1
14835-EP2371807A1
18820-82-1 (hydrobromide)
32001-55-1 (hydrofluoride)
15598-34-2 (perchlorate)
Pyridine, p.a., ACS reagent, 99.0%
Pyridine, puriss. p.a., ACS reagent, >=99.8% (GC)
InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5
Pyridine, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.8% (GC)
Pyridine, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
Pyridine, puriss., Reag. Ph. Eur., dried, >=99.5% (GC), <=0.0075% water
Microorganism:

Yes

IUPAC namepyridine
SMILESC1=CC=NC=C1
InchiInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
FormulaC5H5N
PubChem ID1049
Molweight79.102
LogP0.76
Atoms11
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitrogen compounds pyridines

mVOC Specific Details

Volatilization
The Henry's Law constant for pyridine is 1.1X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyridine 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 3 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 25 days(SRC). Pyridine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Pyridine is a weak base with a pKa of 5.23(3), 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). The potential for volatilization of pyridine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 20.8 mm Hg(4).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-927 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of pyridine is estimated as 50(SRC), using a measured log Kow of 0.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyridine is expected to have high mobility in soil. The pKa of pyridine is 5.23(4), which indicates that pyridine will partially exist in the protonated form under acidic conditions and cations adsorb more strongly to soil surfaces than neutral molecules(SRC). The adsorption of pyridine to a basic subsoil (pH 8.15, 0.58% organic carbon) is negligible, while in an acidic subsoil (pH 4.85, O.24% organic carbon), the Freundlich adsorption constant was measured to be 5.78 and the slope 0.679(5). This suggests a cationic adsorption mechanism as pyridine is predominantly in its protonated form. Pyridine adsorbs to colloidal particles of sodium montmorillonite and kaolinite, a process which is attributed to cation exchange and is a function of pH(5). Adsorption is at a minimum at pH 1 and 11 and reaches a maximum at pH 4 for the montmorillonite and pH 5.5 for the kaolinite where the adsorption constants are 60 and 10, respectively(6).
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. 12 (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) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (5) Felice LJ et al; Quinoline Partitioning In Substance Materials Adsorption, Desorption, and Solute Competition PNL-SA-11728 Battelle Pacific NW Labs pp. 19 (1984) (6) Baker RA, Lu MD; Water Res 5: 839-48 (1971)
Vapor Pressure
PressureReference
20.8 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-MS Spectrum 4884 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 4883 - EI-B (HITACHI RMU-7M) Positive
MS-MS Spectrum 4887 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive
MS-MS Spectrum 225461
MS-MS Spectrum 4888 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive
MS-MS Spectrum 1315 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4889 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive
MS-MS Spectrum 225459
MS-MS Spectrum 225452
MS-MS Spectrum 4882 - EI-B (Unknown) Positive
MS-MS Spectrum 225462
MS-MS Spectrum 225454
MS-MS Spectrum 225463
MS-MS Spectrum 4885 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive
MS-MS Spectrum 225456
MS-MS Spectrum 225457
MS-MS Spectrum 1316 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4886 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive
MS-MS Spectrum 225455
MS-MS Spectrum 4881 - EI-B (MX-1303) Positive
MS-MS Spectrum 1317 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 225453
MS-MS Spectrum 225451
MS-MS Spectrum 225458
MS-MS Spectrum 225460
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fusarium Sp.Brock et al. 2011
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fusarium Sp.no
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiTuber MelanosporumYes


Quinoline

Mass-Spectra

Compound Details

Synonymous names
benzazabenzene
Benzopyridine
Chinoleine
benzazine
Chinolin
Chinoline
Leucoline
Quinolin
QUINOLINE
SMWDFEZZVXVKRB-UHFFFAOYSA-N
Leucol
Leukol
1-Azanaphthalene
Quinoline, analytical standard
3-Benzopyridine
8-quinolinyl
AC1L1NVV
Benzo(b)pyridine
Benzo[b]pyridine
1-Benzazine
1-Benzine
C9H7N
ACMC-20aimg
Benzopyridine (VAN)
SCHEMBL2774
2,3-Benzopyridine
Chinolin [Czech]
Quinoline, >=97%
Quinoline, >=99%
CHEMBL14474
NSC3396
UN2656
CCRIS 547
HSDB 121
Q0011
Q0085
Quinoline > 90% grade
BIDD:ER0666
RP19862
SCHEMBL483852
STR01546
B 500
B-500
C06413
E66400VT9R
HMS2271F08
ZINC896153
BBL011390
DTXSID1021798
HE019500
HE355080
HE411917
LS-1919
NSC 3396
NSC-3396
SBB060379
SCHEMBL1193639
SCHEMBL3311562
SCHEMBL8571823
STL146493
UN 2656
USAF EK-218
ZB015074
CHEBI:17362
DSSTox_CID_1798
M-7415
UNII-E66400VT9R
AJ-24226
AK-98665
AN-42551
ANW-75062
CJ-04486
DSSTox_GSID_21798
KB-60280
Quinoline, reagent grade, 96%
Quinoline, reagent grade, 98%
SC-47591
ST2413766
WLN: T66 BNJ
BB_SC-6766
BDBM50047015
DSSTox_RID_76332
MFCD00006736
Quinoline (8CI,9CI)
ZINC00896153
AI3-01241
DB-057248
NCIOpen2_007906
RTC-063626
ST51046569
TC-063626
AKOS000119139
Epitope ID:140096
J-524185
ZINC328579131
FEMA No. 3470
FT-0602839
FT-0633705
MLS002303065
SMR000112309
91-22-5
I14-93758
Quinoline, for synthesis, 96.0%
Tox21_201478
Tox21_300068
F0001-2218
Z1258578262
CAS-91-22-5
Quinoline, 97% 100g
Quinoline, JIS special grade, >=95.0%
MCULE-2825394284
NCGC00091190-01
NCGC00091190-02
NCGC00091190-03
NCGC00091190-04
NCGC00254119-01
NCGC00259029-01
Quinoline, SAJ first grade, >=94.0%
EINECS 202-051-6
20214-07-7
Quinoline [UN2656] [Poison]
530-64-3 (hydrochloride)
5730-EP2269978A2
5730-EP2269985A2
5730-EP2269989A1
5730-EP2269991A2
5730-EP2270000A1
5730-EP2270004A1
5730-EP2270008A1
5730-EP2270010A1
5730-EP2270113A1
5730-EP2270505A1
5730-EP2272517A1
5730-EP2272537A2
5730-EP2272813A2
5730-EP2272828A1
5730-EP2272832A1
5730-EP2272837A1
5730-EP2272843A1
5730-EP2272849A1
5730-EP2272935A1
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5730-EP2274983A1
5730-EP2275395A2
5730-EP2275401A1
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5730-EP2275411A2
5730-EP2275412A1
5730-EP2277858A1
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5730-EP2277877A1
5730-EP2280000A1
5730-EP2280009A1
5730-EP2280013A1
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5730-EP2281817A1
5730-EP2281818A1
5730-EP2281824A1
5730-EP2284150A2
5730-EP2284151A2
5730-EP2284152A2
5730-EP2284153A2
5730-EP2284155A2
5730-EP2284156A2
5730-EP2284157A1
5730-EP2284158A1
5730-EP2284159A1
5730-EP2284164A2
5730-EP2284169A1
5730-EP2284174A1
5730-EP2284920A1
5730-EP2285800A1
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5730-EP2287148A2
5730-EP2287150A2
5730-EP2287155A1
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5730-EP2287165A2
5730-EP2287166A2
5730-EP2289871A1
5730-EP2289877A1
5730-EP2289890A1
5730-EP2289891A2
5730-EP2289892A1
5730-EP2292586A2
5730-EP2292590A2
5730-EP2292592A1
5730-EP2292593A2
5730-EP2292601A1
5730-EP2292602A1
5730-EP2292603A1
5730-EP2292604A2
5730-EP2292611A1
5730-EP2292617A1
5730-EP2292618A1
5730-EP2292620A2
5730-EP2292630A1
5730-EP2293650A1
5730-EP2295419A2
5730-EP2295421A1
5730-EP2295429A1
5730-EP2295432A1
5730-EP2295433A2
5730-EP2298305A1
5730-EP2298731A1
5730-EP2298732A1
5730-EP2298737A1
5730-EP2298739A1
5730-EP2298740A1
5730-EP2298741A1
5730-EP2298746A1
5730-EP2298750A1
5730-EP2298755A1
5730-EP2298756A1
5730-EP2298761A1
5730-EP2298763A1
5730-EP2298767A1
5730-EP2298770A1
5730-EP2298771A2
5730-EP2298776A1
5730-EP2299785A1
5730-EP2301536A1
5730-EP2301538A1
5730-EP2301544A1
5730-EP2301912A2
5730-EP2301913A1
5730-EP2301914A1
5730-EP2301916A2
5730-EP2301918A1
5730-EP2301920A1
5730-EP2301923A1
5730-EP2301930A1
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MolPort-000-883-590
Quinoline [UN2656] [Poison]
AE-641/01960007
InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7
Microorganism:

Yes

IUPAC namequinoline
SMILESC1=CC=C2C(=C1)C=CC=N2
InchiInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
FormulaC9H7N
PubChem ID7047
Molweight129.162
LogP2.13
Atoms17
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical Classificationpyridines benzenoids nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for quinoline is estimated as 1.7X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.06 mm Hg(1), and water solubility, 6,110 mg/l(2). This Henry's Law constant indicates that quinoline 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 25 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 186 days(SRC). Quinoline is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Smith JH et al; Environmental pathways of selected chemicals in freshwater systems. Part II. Athens, GA: USEPA-600/7-78-074 (1978) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The measured log Koc for quinoline is 2.84(1). The adsorption coefficients of quinoline to Ca-montmorillonite and creek sediments are 7.3 and 10.9, respectively(2). A Koc of 43 was reported using low-organic-carbon subsurface materials(11). According to a classification scheme(3), these Koc values suggest that quinoline is expected to have very high mobility in soil. Quinoline was found to be relatively mobile using a Danish sandy soil(10). Intensity of quinoline added to a natural sand aquifer on the Canadian Air Force Base Borden, Ontario, Canada via a field study using coal tar creosote were found to increase after 278 days, about 25 m from the croesote source, added at an initial concn of 10.1 g/kg creosote(4). Aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(7,8), suggesting that mobility may be much lower in some soils(SRC). The pKa of quinoline is 4.90(5), 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(6); therefore, adsorption increases with increasing soil acidity(11). Sorption onto airborne particulates has been observed(9). A Kd value of 0.83 was measured using a Danish sandy soil from Lundgaard, Jutland, characterized by 2.47% organic carbon content, 80.2% sand, 13.2% silt, 4.8% clay, and a pH of 5.8(10).
Literature: (1) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (2) Reinhold KA et al; Adsorption of energy-related organic pollutants: A literature review USEPA-600/3-79-086 (1979) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Fowler MG et al; Org Geochem 22: 641-9 (1994) (5) Weast TC et al; CRC Handbook of Chemistry and Physics. 66th ed. Boca Raton, FL: CRC Press (1985) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals; Boethling RS, Mackay D, eds, Baca Raton, FL: Lewis Publ (2000) (7) Bollag JM et al; J Agric Food Chem 26: 1302-6 (1978) (8) Adrian P et al; Chemosphere 18: 1599-1609 (1989) (9) Dong MW et al; Environ Sci Technol 11: 612-8 (1977) (10) Thomsen AB et al; Environ Sci Technol 33: 2891-8 (1999) (11) Zachara JM et al; Environ Sci Technol 20: 620-7 (1986)
Vapor Pressure
PressureReference
0.06 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo