2-Methylnaphthalene

Names

[ CAS No. ]:
91-57-6

[ Name ]:
2-Methylnaphthalene

[Synonym ]:
2-METHYL NAPHTHALENE
beta-Methylnaphthalene
2-methyl-1-naphtoic acid
2-Methylnaphthalen-1-carbonsaeure
2-methyl-naphthalene
B-METHYLNAPHTHALENE
EINECS 202-078-3
L66J B1
2-methyl-1-naphthoic acid
2-metylnaphtalene
2-METHYLNAPHTHALENE FOR SYNTHESIS
2-Methylnaphthalen
2-Methylnaphthalene
2-methyl-1-naphthalenecarboxylic acid
2-methylnaphtalene
2-methylnaphthoic acid
MFCD00004118
2-METHYLNAPTHALENE
β-Methylnaphthalene
Naphthalene, 2-methyl-
SS-METHYLNAPHTHALENE
Fasudil Impurity 13

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
239.9±3.0 °C at 760 mmHg

[ Melting Point ]:
34-36 °C(lit.)

[ Molecular Formula ]:
C₁₁H₁₀

[ Molecular Weight ]:
142.197

[ Flash Point ]:
97.8±0.0 °C

[ Exact Mass ]:
142.078247

[ LogP ]:
3.91

[ Vapour Pressure ]:
0.1±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.617

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
0.00246 g/100 mL

[ Freezing Point ]:
34.5℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QJ9635000

CHEMICAL NAME :: Naphthalene, 2-methyl-

CAS REGISTRY NUMBER :: 91-57-6

LAST UPDATED :: 199801

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C11-H10

MOLECULAR WEIGHT :: 142.21

WISWESSER LINE NOTATION :: L66J C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1630 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 28500 mg/kg/81W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 250 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 208,155,1988 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1659 No. of Facilities: 633 (estimated) No. of Industries: 10 No. of Occupations: 15 No. of Employees: 3498 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1659 No. of Facilities: 376 (estimated) No. of Industries: 5 No. of Occupations: 5 No. of Employees: 4359 (estimated) No. of Female Employees: 1608 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H301 + H311 + H331-H370

[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R22;R51/53

[ Safety Phrases ]:
S26-S37/39-S61-S36/37-S24/25-S23-S53

[ RIDADR ]:
UN 3077 9/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
QJ9635000

[ Packaging Group ]:
III

[ Hazard Class ]:
9

[ HS Code ]:
29029080

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 29029080

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

J. Med. Chem. 48 , 440-9, (2005)

The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o...

Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

Eur. J. Med. Chem. 44 , 1941-51, (2009)

A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an...