Naphthalene

HCID 931CAS 91-20-3

Grundinformationen

Standard-SMILES
c1ccc2ccccc2c1
InChIKey
UFWIBTONFRDIAS-UHFFFAOYSA-N
Summenformel
C10H8
Durchschnittliche Molmasse
128,17 g/mol
Monoisotopische Masse
128,06260026

Überblick

Naphthalene can cause cancer according to The National Toxicology Program.

Namen und Bezeichner

Bevorzugter Name
Naphthalene
IUPAC
naphthalene
Englischer Name
Naphthene
Summenformel
C10H8
Molmasse
0

Namen und Synonyme

naphthalene91-20-3NaphthalinTar camphorWhite tarAlbocarbonNaphtheneCamphor tarnaphtaleneNaphthalineMoth ballsMoth flakes
Weitere Namen anzeigen
DezodoratorNaftalenMighty 150NaphthalinumRCRA waste number U165Mighty RD1NaphtalinumNCI-C52904

Datenbank-Bezeichner

CAS
91-20-3
PubChem CID
931
DTXSID
DTXSID8020913
ChEMBL
CHEMBL16293
ChEBI
CHEBI:16482
UNII
2166IN72UN
EC Number
202-049-5
Nikkaji
J2.839H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 4 Einträge

Hazardous Air Pollutants (HAPs)

Other Classes -> Naphthalenes

Carcinogens

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

PolymersPolycyclic aromatic hydrocarbon
CosmeticsCosmetics ingredient -> Solvent
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Pesticides · 3 Einträge

Pesticide -> EPA IRIS

Repellants

Active substance -> EU Pesticides database: Not approved

LogP · 4 Einträge

log Kow = 3.30

3.30

3.35

3.43

Physikochemische Eigenschaften

Schmelzpunkt
80.2 °C · 80.2 °C
Siedepunkt
217.9 °C · 217.9 °C
Dichte
1.162 g/cm3 · 1.162 g/cm3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2947) of reports.

Danger

H228 (38.8%): Flammable solid [Danger Flammable solids]

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Naphthalene

Hazard Traits - Bioaccumulation; Carcinogenicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Neurotoxicity; Ocular Toxicity; Other Toxicological Hazard Traits; Respiratory Toxicity

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

Naphthalene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene 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)

2004/129/EC

Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15924

Other Safety InformationIMAP assessments - Naphthalene: Human health tier II assessment
DOT Label · 2 Einträge

Flammable Solid

Corrosive

Fire Hazards · 4 Einträge

Excerpt from ERG Guide 133 [Flammable Solids]:

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

· Flammable/combustible material.

Combustible. Above 80 °C explosive vapour/air mixtures may be formed. Finely dispersed particles form explosive mixtures in air.

Fire Potential · 2 Einträge

Flammable in the presence of a source of ignition, through friction or retained heat.

Combustible

Health Hazards · 3 Einträge

Excerpt from ERG Guide 133 [Flammable Solids]:

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

· Fire may produce irritating and/or toxic gases.

Sicherheit und Schutzausrüstung

Fire Fighting · 3 Einträge

Excerpt from ERG Guide 133 [Flammable Solids]:

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Use water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Seek medical attention if you feel unwell.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 4 Einträge

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.

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

General First Aid:

(General first aid procedures)

Safe StorageSeparated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Firefighting HazardsMolten naphthalene spatters and foams in contact with water.

Toxikologische Informationen

Body Burden · 1 Eintrag

Naphthalene was identified in 6 of 8 samples of mother's milk from 4 USA urban areas(1). A National Human Adipose Tissue Survey (NHATS) by EPA for fiscal year 1982 detected naphthalene in wet adipose tissue with a frequency of 40% and concentration range of <9-63 ppb(2). The average naphthalene blood concentration of 56 children (ages 2-12 years) was 19 ppb; samples were collected in Lucknow, India Sep 2005 to Aug 2006(3).

TreatmentThere is no known antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10)
Interactions · 5 Einträge

Ip injection of channel catfish (Ictalurus punctatus) with 100 ug benzo(a)pyrene, Aroclor 1254, or naphthalene, singly and in combinations, affected the levels of the brain neurotransmitters norepinephrine, dopamine, and 5 hydroxytryptamine, but the effect showed no discernible pattern. The effects of combinations of the chemicals did not appear to be predictable from the effects of individual chemicals. In several instances, the change in the level of neurotransmitter in fish receiving a combination of chemicals was greater than in fish receiving either chemical alone.

...50 cases of severe chronic effects from repeated ingestion of a naphthalene- isopropyl alcohol "cocktail" have been recorded. The symptoms resembled those of ethanol intoxication and consisted of tremors, restlessness, extreme apprehension, and hallucination. The effects subsided in a few days.

When... naphthalene... was applied dermally in combination with benzo(a)pyrene (BaP), there was an inhibitory effect on the induction of skin tumors in female mice.

The administration of /mixed function oxidase/ (MFO) inhibitors (SKF-525A, metyrapone) and antioxidants (caffeic acid and vitamin E) decreased ocular toxicity in mice.

For more Interactions (Complete) data for NAPHTHALENE (8 total), please visit the HSDB record page.

Target Organs · 2 Einträge

Nervous

Eyes, skin, blood, liver, kidneys, central nervous system

Health Effects · 1 Eintrag

Inhalation of naphthalene vapor has been associated with headaches, nausea, vomiting and dizziness. Hemolysis, the abnormal breakdown of red blood cells, may occur following ingestion or sufficient dermal exposure to either naphthalene or to naphthalene-treated fabric. In humans, cataracts and other ocular injury have been reported following acute and chronic occupational exposure to naphthalene. Additional signs of toxicity in children include convulsions and coma. Infants may develop encephalopathy and kernicterus, a form of brain damage, due to the presence of increased levels of methemoglobin, hemoglobin, and bilirubin in their plasma. Naphthalene appears to be mildly carcinogenic. Rats exposed to naphthalene vapors at 10, 30, or 60 ppm for 6 hours a day, five days a week for two years developed respiratory epithelial adenomas and olfactory epithelial neuroblastomas.

Ecotoxicity Values · 5 Einträge

LC50; Species: Oncorhynchus gorbuscha (pink salmon); Concentration: 1.4 mg/L for 96 hr at 4 °C; 1.8 mg/L for 96 hr at 8 °C; 1.2 mg/L for 96 hr at 12 °C /Conditions of bioassay not specified/

LC50; Species: Pandalus goniurus (shrimp); Concentration: 2.2 mg/L for 96 hr at 4 °C; 1.02 mg/L for 96 hr at 8 °C; 0.97 mg/L for 96 hr at 12 °C /Conditions of bioassay not specified/

LC50; Species: Parhyale hawaiensis (amphipod); Concentration: 15 ppm for 24 hr open bowl; 6.5 ppm for 24 hr closed bottle /Conditions of bioassay not specified/

LC50; Species: Pimephales promelas (fathead minnow) weight 116 mg; Conditions: flow-through bioassay, dissolved oxygen 7.4 (4.6-8.8) mg/L, water hardness 44.9 (42.4-46.6) mg/L as CaCO3, pH 6.9-7.7, alkalinity 42.9 (39.6-61.4) mg/L CaCO3, 26.4 +/- 1.4 °C; Concentration: 7.76 (7.39-8.14) mg/L for 24 hr /Purity 98%/

For more Ecotoxicity Values (Complete) data for NAPHTHALENE (30 total), please visit the HSDB record page.

Regulatorische Informationen

RCRA Requirements · 1 Eintrag

U165; As stipulated in 40 CFR 261.33, when naphthalene, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

TSCA Requirements · 2 Einträge

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 8/4/95; Reporting date: 10/3/95.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Naphthalene is included on this list. Effective date: 6/1/87; Sunset date: 6/1/97.

FIFRA Requirements · 2 Einträge

The Agency has completed its assessment of the human health and ecological risks associated with the use of pesticide products containing naphthalene. The Agency has determined that naphthalene-containing products are eligible for reregistration provided that label amendments are made as outlined in Chapter V. ... Based on its evaluation of naphthalene, the Agency has determined that products containing naphthalene, unless labeled and used as specified in this document, would present risks inconsistent with FIFRA. Accordingly, should a registrant fail to implement any of the risk mitigation measures identified in this document, the Agency will take regulatory action to address the risk concerns from the use of naphthalene. If all changes outlined in this document are incorporated into the product labels, then all current risks for naphthalene will be adequately mitigated for the purposes of this determination under FIFRA.

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 safety standards, such as those described in the Food Quality Protection Act of 1996. Naphthalene is found on List A, which contains most pesticides that are used on foods and, hence, have a high potential for human exposure. List A consists of the 194 chemical cases (or 350 individual active ingredients) for which EPA issued registration standards prior to FIFRA '88. Case No: 0022; Pesticide type: insecticide; Registration Standard Date: 09/01/81; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the RED (Reregistration Eligibility Decision) document.; Active ingredient (AI): naphthalene; Data Call-in (DCI) Date(s): 05/06/91, 10/13/95; AI Status: The producers of the pesticide have made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.

Atmospheric Standards · 1 Eintrag

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Naphthalene is included on this list.

CERCLA Reportable Quantities · 1 Eintrag

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b).

Clean Water Act Requirements · 2 Einträge

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations.

Naphthalene is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H228

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 5 Einträge

1,2-Dihydroxynaphthalene or 1,2-naphthoquinone /metabolites of naphthalene/ combined with amino acids or irreversibly with the thiol groups of lens protein to form a brown precipitate. ... Hydroperoxide formed in the oxidation of 1,2-dihydroxynaphthalene and ascorbic acid can act with high levels of glutathione peroxidase in the eye to oxidize glutathione.

/Mechanism of ocular toxicity:/...The oxidation products of naphthalene may reach the eye via the bloodstream, where 1,2-naphthoquinone is formed which can react with proteins and other cell components to form insoluble precipitates with a characteristic brown color. ... Naphthalene dihydrodiol is produced in the liver /of rats/, reaches the aqueous humor, and penetrates the lens, where it is metabolized to naphthoquinone.

Mitochondrial respiration is inhibited 50% by 10 ppm (78 uM) /naphthalene/. Nicotinamide adenine dinucleotide oxidase, nicotinamide adenine dinucleotide-cytochrome c reductase, ubiquinone-50 oxidase, and nicotinamide adenine dinucleotide-ubiquinone reductase are inhibited; while succinate oxidase, nicotinamide adenine dinucleotide-ferricyanide reductase, nicotinamide adenine dinucleotide -indophenol reductase, and ATPase activities are not inhibited. ... Exposure at concentrations >7.5 ppm causes cultured cells to round up ... with eventual death the result. The effects of naphthalene on morphology and respiration are very similar, suggesting that mitochondrial inhibition plays a significant role in the effects of naphthalene on intact cells.

Naphthalene itself is not cataractogenic; instead, the metabolite 1,2-dihydro-1,2-dihydroxynaphthalene (naphthalene dihydrodiol) is the cataract-inducing agent. Subsequent studies using biochemical and pharmacologic techniques, in vitro assays, and transgenic mice showed that aldose reductase in the rat lens is a major protein associated with naphthalene dihydrodiol dehydrogenase activity and that lens aldose reductase is the enzyme responsible for the formation of naphthalene dihydrodiol. In addition, invivo and invitro studies have shown that aldose reductase inhibitors prevent naphthalene-induced cataracts.

For more Mechanism of Action (Complete) data for NAPHTHALENE (7 total), please visit the HSDB record page.

Biological Half-LifeWhole body: 8 days; [TDR, p. 909]
Metabolism/Metabolites · 6 Einträge

/It was shown/ that 24-35% of an intraperitoneal dose of (14)C-naphthalene was eliminated as mercapturates by both mice and rats at 24 hours after dosing. For both species, this percentage was the same over a wide dose range (3.12-200 mg/kg body weight). In contrast, after inhalation exposure, the amounts of mercapturic acid in mouse urine were approximately twice those in rat urine at the same level of exposure. Over a 24 hour period, approximately 100-500 umol/kg body weight mercapturates were eliminated in urine of mice given intraperitoneal injections of 50-200 mg/kg body weight naphthalene. In mice exposed by inhalation to 1-100 ppm (5.24-524 mg/cu m) naphthalene for 4 hours, 1-240 umol/kg body weight total mercapturic acids were eliminated, while rats exposed to the same concentrations eliminated 0.6-67 umol/kg body weight.

A 5 day old calf dosed orally with (14)C-propachlor excreted 70% dose in the urine as the cysteine conjugate; no mercapturic acid was detected. Rumen microflora were established in the calf (5 weeks older) and the experiment was repeated with the same results. When the same calf was dosed 1 week later with (14)C-naphthalene, 99% dose was excreted in the urine, mostly as the dihydrodiol glucuronide (34%) and the dihydrohydroxy cysteine conjugate (47%); no mercapturate was detected. ... Cysteine S-conjugate N-acetyltransferase activity in calf kidney and liver was about 10% of that n the corresponding rat tissues.

...Metabolized via 1,2-epoxide into 1,2-dihydronaphthalene-1,2-diol, 1,2-dihydro-1-naphthol and N-acetyl-s-(2-hydroxy-1,2-dihydronaphthyl)-cysteine, which after further metabolism... Excreted in urine as 1-naphthylmercapturic acid ...and conjugates of 1,2-dihydronaphthalene-1,2-diol... 1- and 2-naphthols, and 1,2-dihydroxynaphthalene.

Naphthalene is metabolized first to naphthalene 1,2-oxide, which can yield 1-naphthol or be converted by epoxide hydrolase to trans-1,2-dihydro- 1,2-dihydroxynaphthalene (trans-1,2-dihydrodiol . The hydroxyl group of 1-naphthol may also be sulfated or glucuronidated. The 1,2-dihydrodiol can also be converted to 2-naphthol. The epoxide is also a substrate for glutathione S-transferase, yielding glutathione conjugates which are eventually eliminated as mercapturic acids.

For more Metabolism/Metabolites (Complete) data for NAPHTHALENE (40 total), please visit the HSDB record page.

Naphthalene has known human metabolites that include naphthalene-1,2 Expodation, 1-Naphthol, dihydrodiol, and 2-Naphthol.

Absorption, Distribution and Excretion · 5 Einträge

Cutaneous absorption of naphthalene in infants is increased by baby oil.

When inhaled, naphthalene is rapidly absorbed... .

At 100 mg/kg intraperitoneally, 20 to 30% was excreted in the rat urine, and 85 to 90% /of urinary excretion/ was in the form of acid conjugates; 5 to 10% was excreted in the bile and 70 to 80% /of biliary excretion/ was as acid conjugates. The major metabolite was naphthalene-1,2-dihydrodiol.

In small oysters transport of naphthalene between tissues is primarily by diffusion. In intact oysters, accumulation in adductor muscle and body followed accumulation in gills after a large lag-time. In isolated tissues with no shell to impede water, there was no time lag.

For more Absorption, Distribution and Excretion (Complete) data for NAPHTHALENE (13 total), please visit the HSDB record page.

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 6 Einträge

The primary use for naphthalene is in the production of phthalic anhydride. However, o-xylene is replacing naphthalene as the preferred raw material for phthalic anhydride production.

Naphthalene is produced from petroleum or coal tars. Naphthalene is used mainly as an intermediate in the synthesis of organic chemicals (plastics, insecticides, fungicides, etc.). It has been used as a household moth repellent. [ACGIH] Naphthalene is produced from incomplete combustion, e.g., burning fossil fuels, forest fires, and smoking cigarettes. It is present in jet and diesel fuel. Its use as a moth repellent has decreased since the introduction of p-dichlorobenzene. Naphthalene is one of the major components of creosote, and the highest concentrations in industrial environments occur in workplaces producing creosote-impregnated timbers. [See Reference #1]

Smoking cigarettes [Category: Food & Drugs]

For naphthalene (USEPA/OPP Pesticide Code: 055801) active products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Insecticide and repellant

It is used indoors as a moth repellant, and placed in closed drawers, closets, and other storage areas. It is also used in attics as a squirrel and bat repellant. Outdoors, it is used around garden and building peripheries to repel animals such as snakes and rabbits.

Impurities · 2 Einträge

Technical-grade naphthalene, also known as naphthalin and tar camphor, has a minimum purity of 95%. The impurities reported are benzo(b)thiophene (thianaphthene) when naphthalene is obtained from coal-tar and methylindenes when it is derived from petroleum.

The main impurity in crude 78 °C coal-tar naphthalene is sulfur which is present in the form of thionaphthalene (1-3%). Methyl- and dimethylnaphthalenes also are present (1-2%) with lesser amounts of indene, methylindenes, tar acids, and tar bases.

U.S. Exports · 2 Einträge

(1981) 2.0X10+9 G

(1985) 5.92X10+9 g

U.S. Imports · 5 Einträge

Naphthalene imports provided about 10-20% of the material consumed in the USA until ca 1963 when that percentage dropped to and leveled at less than 5%.

(1977) 4.1X10+9 G

(1982) 4.7X10+9 G

(1985) 2.22X10+7 g /Naphthalene solidifying under 79 °C/

(1985) 4.79X10+7 g /Naphthalene solidifying at 79 °C and over/

U.S. Production · 6 Einträge

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

(1974) 2.9X10+11 metric tons.

(1979) 3.24X10+11 g

(1980) 3.16X10+11 g

(1982) 3.17X10+11 g

For more U.S. Production (Complete) data for NAPHTHALENE (23 total), please visit the HSDB record page.

Consumption Patterns · 5 Einträge

CHEM INT FOR PHTHALIC ANHYDRIDE, 58%; CHEM INT FOR 1-NAPHTHYL-N-METHYLCARBAMATE, 21%; CHEM INT FOR BETA-NAPHTHOL, 8%; CHEM INT FOR SYNTHETIC TANNING AGENTS, 6%; MOTH REPELLANT, 3%; CHEM INT FOR SURFACTANTS, 3%; OTHER, 1% (1980 EST)

Chem intermediate for phthalic anhydride, 50%; chem intermediate for carbamate insecticides, 20%; chemical intermediate for naphthalene sulfonic acids, 20%; miscellaneous, 10% (1984)

Phthalic anhydride, 60%; exports, 15%; 1-naphthol, tetralin, 1-naphthyl methyl carbamate insecticide, 10%; tanning agents, 8%; surfactants and other uses, 7% (1985)

CHEMICAL PROFILE: Naphthalene. Phthalic anhydride, 60%; 1-naphthyl methyl carbamate insecticide and related products (tetralin and 1-naphthol), 10%; dispersant chemicals, 10%; moth repellent, 6%; synthetic tanning agents, 5%; miscellaneous uses, 5%; exports, 4%.

For more Consumption Patterns (Complete) data for NAPHTHALENE (6 total), please visit the HSDB record page.

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