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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 name
2-methylnaphthalene
SMILES
CC1=CC2=CC=CC=C2C=C1
Inchi
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
Formula
C
1
1
H
1
0
PubChem ID
7055
Molweight
142.201
LogP
3.48
Atoms
21
Bonds
22
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
benzenoids
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
Pressure
Reference
0.055 mm Hg at 25 deg C
Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Streptococcus Mutans DSM 20523
as a biomarker for a breath test for detection of caries
Hertel et al., 2015
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Streptococcus Mutans DSM 20523
Brain-Heart-Infusion agar
Tenaxâ„¢-trap/GC-MS
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS