Results for:
PubChem ID: 7055

2-methylnaphthalene

Mass-Spectra

Compound Details

Synonymous names
beta-Methylnaphthalene
QIMMUPPBPVKWKM-UHFFFAOYSA-N
beta-methyl naphthalenes
2-methyInaphthalene
2-methylnaphthalen
2-METHYLNAPHTHALENE
2-Naphthylmethyl radical
2-Methylnaphthalene, analytical standard
AC1L1NWJ
AC1Q1GKJ
2-methyl naphthalene
2-methyl-naphthalene
.beta.-Methylnaphthalene
Methyl-2-naphthalene
S8MCX3C16H
KSC486M7D
naphthalene, 2-methyl
Naphthalene, beta-methyl-
ACMC-209rcf
NSC3575
UNII-S8MCX3C16H
M0372
CTK3I6671
NE10298
AC-615
RP20766
CHEMBL195895
Naphthalene, 2-methyl-
HSDB 5274
DSSTox_CID_878
C14098
bmse000537
SBB060085
BC208431
LS-1922
NSC 3575
NSC-3575
OR000948
OR126305
DTXSID4020878
STL283950
UNII-E987XQ801Y component QIMMUPPBPVKWKM-UHFFFAOYSA-N
ZINC1666853
CHEBI:50720
AN-15677
AJ-29051
AK-94178
CJ-06068
AB1003413
ST2417100
TRA0099646
CJ-27001
ANW-39709
DSSTox_GSID_20878
KB-25125
MFCD00004118
ZINC01666853
BDBM50159241
DSSTox_RID_75842
RTR-030801
WLN: L66J C1
DB-002463
TR-030801
ST51046326
AI3-17554
ZINC112980287
AKOS000120035
W-100305
I14-6945
FT-0613065
91-57-6
Tox21_200839
2-Methylnaphthalene (beta), 97%
NAPHTALENE,2-METHYL MFC11 H10
CAS-91-57-6
MCULE-4388510802
NCGC00258393-01
NCGC00091415-02
NCGC00091415-01
7419-61-6
EINECS 202-078-3
MolPort-001-785-980
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
Molweight142.201
LogP3.48
Atoms21
Bonds22
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids

mVOC Specific Details

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)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS