Results for:
PubChem ID: 7975

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