2-Methylnaphthalene

HCID 7055

Basic information

CAS
7419-61-6
Standard SMILES
Cc1ccc2ccccc2c1
InChIKey
QIMMUPPBPVKWKM-UHFFFAOYSA-N
Molecular formula
C11H10
Average molar mass
142.2 g/mol
Monoisotopic mass
142.07825032

Overview

2-methylnaphthalene is a white crystalline solid. (NTP, 1992)

Names & identifiers

Preferred name
2-Methylnaphthalene
IUPAC
2-methylnaphthalene
English name
2-Methylnaphthalene
Molecular formula
C11H10
Molecular weight
142.1971

Names & synonyms

2-METHYLNAPHTHALENE91-57-6beta-MethylnaphthaleneNaphthalene, 2-methyl-DTXSID4020878S8MCX3C16HNSC-3575DTXCID60878CHEBI:50720RefChem:476105202-078-3.beta.-Methylnaphthalene
Show more names
Naphthalene, beta-methyl-2-methyl-naphthalenebeta-methyl naphthalenes2-Naphthylmethyl radical2-methyInaphthaleneMethyl-2-naphthaleneC11H10CHEMBL195895

Database identifiers

CAS
7419-61-6、91-57-6
PubChem CID
7055
DTXSID
DTXSID4020878
ChEMBL
CHEMBL195895
ChEBI
CHEBI:50720
UNII
S8MCX3C16H
EC Number
202-078-3
Nikkaji
J3.557B

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Chemical Classes · 3 items

Other Classes -> Naphthalenes

Flammable agents - 2nd degree

Semi-Volatile Organic Compound (SVOC) and(or) Waste-water effluent contaminant

PolymersPolycyclic aromatic hydrocarbon
CosmeticsCosmetics ingredient -> Fragrance
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Methylnaphthalene) -> IFRA transparency List
PesticidesPesticide -> EPA IRIS

Physicochemical properties

Melting point
37 · 37-38 °C
Boiling point
241.1 °C · 241.1 °C
Density
0.99 g/cm3 · 0.99 g/cm3

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.2% (50 of 1564) of reports.

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1564 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 6 items

Chemical: Naphthalene, 2-methyl-

Hazard Traits - Environmental tox; Neurotoxicity

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Naphthalene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 2-methylnaphthalene (EC: 202-078-3)

2-Methylnaphthalene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelClass 9
Fire Hazards · 2 items

This chemical is combustible. (NTP, 1992)

Combustible.

Fire PotentialCombustible.
Health Hazards · 1 item

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. It may also cause headaches, nausea, vomiting, diarrhea, anemia, jaundice, euphoria, dermatitis, visual disturbances, convulsions and comatose.

Hazards Summary · 2 items

There are no studies of humans exposed to 1-methylnaphthalene or 2-methylnaphthalene. [ATSDR ToxFAQs] Minimal Risk Level (oral chronic) = 0.4 mg/kg/day (Resp.); [ATSDR] 1-Methylnaphthalene (1-MN) and 2-Methylnaphthalene (2-MN) are respiratory tract irritants. [ACGIH] See Naphthalene.

The major hazards encountered in the use and handling of 2-methylnaphthalene stem from its toxicologic properties. Toxic by all routes (ie, ingestion, inhalation, and dermal contact), exposure to this crystaline substance may occur from its production or use as a chemical intermediate in organic syntheses, in insecticides, or as a dye carrier. Effects from exposure may include facial flushing, fever, headache, skin irritation, corneal damage, nausea, anorexia, hemoglobinuria, hepatocellular injury, convulsions, and coma. Before implementing land disposal of waste 2-methylnaphthalene, consult with environmental regulatory agencies for guidance.

Safety & protection

Fire Fighting · 2 items

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be use. (NTP, 1992)

Use powder, foam, carbon dioxide.

First Aid Measures · 4 items

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give a slurry of activated charcoal in water to drink. Rest. Refer for medical attention .

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Safe StorageStore in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Firefighting HazardsSpecial hazards arising from the substance or mixture: Carbon oxides.
Fire Fighting Procedures · 2 items

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

Toxicology

Body Burden2-Methylnaphthalene was identified, but not quantified, in 3 of 12 samples of breath in Bayonne and Elizabeth, NJ as part of the Total Exposure Assessment Methodology (TEAM) study(1).
TreatmentThere is no known antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10)
Interactions · 2 items

Pretreatment of rainbow trout with 2,3-benzanthracene resulted in an increase in the metabolism and biliary excretion of 2-methylnaphthalene in vivo.

Mixed function oxidase inducers... affect the metabolism of 2-methylnaphthalene. Inducers that influence cytochrome P-450 increase the oxidation of the side chain and the concentration of one dihydrodiol. Induction of cytochrome P-450 increased the production of two other dihydrodiols. The production of naphthoic acid in preference to the diols may explain why 2-methylnaphthalene is less toxic to Clara cells than naphthalene.

Target OrgansRespiratory
Health Effects · 1 item

PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. Exposure to large amounts of 2-methylnapthalene may damage or destroy the red blood cells, resulting in hemolytic anemia. (L10, L12)

Ecotoxicity Values · 5 items

EC50; Species: Daphnia magna (Water flea) age 4-6 days, length 1.5 mm; Conditions: freshwater, static, 23 °C, pH 6-7, dissolved oxygen 5-9 mg/L; Concentration: 13 mmol/cu m (95% confidence interval: 5-35 mmol/cu m); Effect: intoxication, immobilization /> or = 97% purity/

LC50; Species: Cancer magister (Dungeness crab) larvae; Concentration: 5.0 mg/L for 48 hr /Conditions of bioassay not specified in source examined/

LC50; Species: Cancer magister (Dungeness crab) larvae; Concentration: 1.3 mg/L for 96 hr /Conditions of bioassay not specified in source examined/

LC50; Species: Palaemonetes pugio (Daggerblade Grass Shrimp) adult; Conditions: saltwater, static, 21 °C, pH 8.1, dissolved oxygen >5 mg/L; Concentration: 1100 ug/L for 96 hr

For more Ecotoxicity Values (Complete) data for 2-METHYLNAPHTHALENE (9 total), please visit the HSDB record page.

Regulatory information

FIFRA Requirements · 1 item

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer saftey standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Methylated naphthalenes is found on List C. Case No: 3088; Pesticide type: insecticide, fungicide; Case Status: No products containing the pesticide are actively registered. Therefore, we are characterizing the case as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): methylated naphthalenes; AI Status: The active ingredient is no longer contained in any registered products ... cancelled." /Methylated naphthalenes/

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Alkyl naphthalenes is produced, as an intermediate or a final product, by process units covered under this subpart. /Alkyl Naphthalenes/

Chemistry & industry

Pharmacology

Biological Half-Life · 2 items

The tissue distribution of 2-methylnaphthalene was measured in guinea pigs 3, 6, 24, and 48 hours after oral administration of tritium-labeled 2-methylnaphthalene (10 mg/kg; 59 uCi/kg). ... The half-life of 2-methylnaphthalene in the blood was 10.4 hours.

The uptake, disposition, biotransformation, and elimination of (14)C-labeled 2-methylnaphthalene was studied in several species of fish. Half-lives of elimination of (14)C-2-methylnaphthalene from tissues, following exposure of rainbow trout fingerlings for 8 hr, were <24 hr. After exposure for 4 wk, half-life of elimination of (14)C was biphasic: half-life of rapid phase <24 hr; slow phase hundreds of hours.

Metabolism/Metabolites · 6 items

Yields cis-1,2-dihydro-1,2-dihydroxy-7-methylnaphthalene and trans-1,2-dihydro-1,2-dihydroxy-7-methylnaphthalene in pseudomonas. /from table/

Yields 2-naphthylcarbinol in pseudomonas. /from table/

Metabolism of 2-methylnaphthalene in rats (in vivo and in vitro) ... was investigated. Conversion of 2-methylnaphthalene to both monohydroxylated compound and dihydrodiols was decreased by incubation with carbon monoxide, omission of NADPH or use of denatured microsomes, implying involvement of cytochrome(s) p450-linked mixed function oxidase activity. Pretreatment ... with phenobarbital and beta-naphthoflavone selectively altered the rate of formation of specific dihydrodiols by rat liver microsomes. Although phenobarbital had no significant effect on rate of dihydrodiol formation, beta-naphthoflavone was strong inducer.

The NADPH-dependent metabolism of naphthalene and 2-methylnaphthalene to covalently bound metabolites in lung or liver microsomal incubations occurred at easily measurable rates. Renal microsomal NADPH-dependent metabolism of either substrate was not detected. The formation of covalently bound naphthalene or 2-methylnaphthalene metabolites was dependent upon NADPH and was inhibited by the addition of reduced glutathione, piperonyl butoxide, and SKF 525A. Covalent binding of radioactivity from (14)C2-methylnaphthalene also was strongly inhibited by incubation in a nitrogen atmosphere or at 2 degree. The arachidonic acid-dependent formation of reactive metabolites from naphthalene or 2-methylnaphthalene was undetectable in microsomal incubations from lung, liver or kidney. Indomethacin, 1 hr before and 6 hr after the administration of 300 mg/kg naphthalene or 2-methylnaphthalene, failed to block the pulmonary bronchiolar injury induced by these aromatic hydrocarbons. These studies suggest that the major enzymes involved in the metabolic activation of naphthalene or 2-methylnaphthalene in vitro are the cytochrome P-450 monooxygenases and that cooxidative metabolism by the prostaglandin synthetases appears to play little role in the formation of reactive metabolites in vitro.

For more Metabolism/Metabolites (Complete) data for 2-METHYLNAPHTHALENE (10 total), please visit the HSDB record page.

PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

Absorption, Distribution and Excretion · 5 items

English sole were exposed to oiled (Alaskan north slope crude oil) sediments over 4 months to assess bioavailability and tissue hydrocarbon distribution kinetics in flatfish. Crude oil was mixed with aromatic hydrocarbon free sediments to a concentration of 700 ug/g dry weight at the beginning of the experiment. During the first month, this concentration decreased to 400 ug/g dry weight, and remained relatively stable during the remainder of the 4 month period. Flatfish accumulated alkane and aromatic hydrocarbons in skin, muscle and liver. 1- and 2-methylnaphthalene was accumulated to greater extent than other aromatic hydrocarbons. Tissue levels decreased with time, after 27 day continuous exposure only liver contained detectable levels.

The accumulation and elimination of (14)C in rainbow trout tissues following short and long term exposures to aqueous (14)C-labeled 2-methylnaphthalene was studied.

... Single intraperitoneal injections of 400 mg/kg (14)C-2-methylnaphthalene /were administered/ to male C57BL/6J mice. Groups of 4 mice were sacrificed at 0.5, 1, 3, 6, 12, or 24 hours after injection for measurement of radioactivity in fat, kidney, liver, and lung. Blood 2-methylnaphthalene concentrations decreased with a reported elimination half-life of 3 hours, indicative of rapid distribution to other tissues or elimination from the body. Peak tissue concentrations of 2-methylnaphthalene equivalents (nmol/mg wet weight) were attained about 1 hour after injection in the liver, 2 hours after injection in the fat, and 4 hours after injection in the kidney and the lung. Peak concentrations were highest in fat (13 nmol/mg), followed by lower concentrations in liver (3.5 nmol/mg), kidney (2.9 nmol/mg), and lung (0.7 nmol/mg). The results demonstrate that 2-methylnaphthalene did not preferentially accumulate in the lung although the lung was the only site of toxicity. Histological examination found that the single 400 mg/kg dose induced bronchiolar necrosis (minimal to prominent sloughing of lining cells in the bronchiolar lumen as revealed by light microscopy) in all exposed mice. No lesions were found in the liver or kidney of exposed mice at any time point. Consistent with the attainment of peak lung tissue concentration at 4 hours after injection, no lesions were evident until 8 hours after injection. The authors also evaluated distribution by measurement of irreversible binding of label from (14)C-2-methylnaphthalene to various tissues over a dose (0, 50, 100, 300, and 500 mg/kg; intraperitoneal injection) and time course (1, 2, 4, 8, 12, and 24 hrs). Maximum irreversible binding of 2-methylnaphthalene metabolites was observed in lung, liver, and kidney tissues at 8 hours post administration. The binding was dose- dependent in all tissues between 50-500 mg/kg and concentrations of bound radioactivity were higher in the liver and kidney than in the lung (the only tissue where lesions were found).

The available animal data indicate that 2-methylnaphthalene is absorbed rapidly following ingestion (approximately 80% within 24 hours). Once absorbed, it is widely distributed among tissues, reaching peak concentrations in less than 6 hours. It is quickly metabolized by the liver, lungs, and other tissues. 2-Methylnaphthalene is rapidly excreted (approximately 70-80% within 48 hours in guinea pigs and 55% in rats), primarily as urinary metabolites.

For more Absorption, Distribution and Excretion (Complete) data for 2-METHYLNAPHTHALENE (7 total), please visit the HSDB record page.

Uses & manufacturing

Uses · 6 items

Produced from coal tar and used to make dyes and resins; Used to make vitamin K; Present in asphalt and smoke from burning cigarettes and wood; [ACGIH]

The active ingredient is no longer contained in any registered products ... cancelled." /Methylated naphthalenes/

Organic synthesis; insecticides.

Used as dye carrier. /From table/

It is used in small quantities for the production of alkylmethylnaphthalene sulfonates as textile auxiliaries, surfactants, and emulsifiers.

For more Uses (Complete) data for 2-METHYLNAPHTHALENE (6 total), please visit the HSDB record page.

U.S. Production · 3 items

2023: 1,000,000 - <8,500,000 lb

Naphthalene, 2-methyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Naphthalene, 2-methyl-. National Production Volume: 30,324 lb/yr.

Consumer UsesIntermediate
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingIt is recovered industrially by crystallization from the methylnaphthalene fraction of high-temperature coal tar, which contains 1.5% 2-methylnaphthalene. 2-Methylnaphthalene can also be produced by isomerization of 1-methylnaphthalene.
Formulations/PreparationsGrades: Technical, 95% minimum.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]

Related reactions

45 records

Compound notes

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