Results for:
PubChem ID: 7055

2-methylnaphthalene

Mass-Spectra

Compound Details

Synonymous names
2-METHYLNAPHTHALENE
91-57-6
beta-Methylnaphthalene
Naphthalene, 2-methyl-
.beta.-Methylnaphthalene
Naphthalene, beta-methyl-
2-methyl-naphthalene
beta-methyl naphthalenes
S8MCX3C16H
CHEMBL195895
DTXSID4020878
CHEBI:50720
NSC-3575
C11H10
MFCD00004118
NAPHTALENE,2-METHYL MFC11 H10
7419-61-6
HSDB 5274
2-Methylnaphthalene, analytical standard
2-Naphthylmethyl radical
NSC 3575
EINECS 202-078-3
UNII-S8MCX3C16H
AI3-17554
Naphthalene, 2-methyl-; 2-Methylnaphthalene; NSC 3575; ?-Methylnaphthalene
2-methyInaphthalene
|A-Methylnaphthalene
2-methyl naphthalene
2-?Methylnaphthalene
Methyl-2-naphthalene
naphthalene, 2-methyl
beta-methyl-naphthalene
bmse000537
EC 202-078-3
DTXCID60878
WLN: L66J C1
NSC3575
2-Methylnaphthalene (beta), 97%
AMY39000
Tox21_200839
AC-615
BDBM50159241
STL283950
AKOS000120035
MCULE-4388510802
CAS-91-57-6
NCGC00091415-01
NCGC00091415-02
NCGC00258393-01
BS-22305
DB-002463
M0372
NS00002503
EN300-20114
2-Methylnaphthalene 10 microg/mL in Cyclohexane
2-Methylnaphthalene 10 microg/mL in Acetonitrile
Q2813819
W-100305
2-Methylnaphthalene 1000 microg/mL in Dichloromethane
Z104476894
InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H
Microorganism:

Yes

IUPAC name2-methylnaphthalene
SMILESCC1=CC2=CC=CC=C2C=C1
InchiInChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
FormulaC11H10
PubChem ID7055
Molweight142.2
LogP3.9
Atoms11
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids
CHEBI-ID50720
Supernatural-IDSN0306341

mVOC Specific Details

Boiling Point
DegreeReference
241.1 °C peer reviewed
Volatilization
The Henry's Law constant for 2-methylnaphthalene is reported as 5.18X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-methylnaphthalene 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 5.5 hours(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 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 41-78 days when adsorption is considered(3). 2-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.055 mm Hg(4).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Soil Adsorption
A log Koc value of 3.67 was reported in soil(1). An average sediment- or soil-water partition coefficient (log Kp) for 2-methylnaphthalene of 2.00 was determined from 17 measurements(2). The log Koc values for 2-methylnaphthalene in 75 sediment samples was 3.00-5.96(3). Measured Koc values have been reported as 4,400(4) and 8,500(5) for 2-methylnaphthalene. According to a classification scheme(6), these Koc values suggest that 2-methylnaphthalene is expected to have slight to no mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Sabljic A et al; Chemosphere 31: 4489-4514 (1995) (5) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (6) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.055 mm Hg at 25 deg CKaryakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter CloacaeNANAJünger et al. 2012
ProkaryotaEscherichia ColiNANAJünger et al. 2012
ProkaryotaStreptococcus Mutans as a biomarker for a breath test for detection of cariesNAHertel et al. 2016
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter CloacaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptococcus MutansBrain-Heart-Infusion agarTenax-trap/GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno