Results for:
PubChem ID: 7953

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