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1H-INDENE · inden · Technicalindene · ndene · INDENE · 1-indene · Indene >Indene,90+% · Indene tech
Identifikatoren & physikalische Daten
| CAS No. | 71551-80-9 |
|---|---|
| Summenformel | C9H8 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,06260026 g/mol |
| SMILES | C1=Cc2ccccc2C1 |
| InChIKey | YBYIRNPNPLQARY-UHFFFAOYSA-N |
| PubChem CID | 7219 |
| ChEMBL | CHEMBL192812 |
| ChEBI | CHEBI:41921 |
| EC No. | 202-393-6 |
| DTXSID | DTXSID8042052 |
| Lokaler Name | Inden |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 124 |
| Stoffklassen | Other Classes -> Aromatic HydrocarbonsFlammable agents - 2nd degree |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance Ingredient (1H-Indene) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | Log Kow = 2.92 |
| Dichte | 0.997 (NIOSH, 2024) - Less dense than waterwill float0.9968 @ 20 °C/4 °C0.996 @25 °C0.996 g/mL at 25 °C (lit.) |
| Color/Form | LIQUIDColorless liquidColorless liquid [Note: A solid below 29 degrees F]. |
| Löslichkeit | Insoluble (NIOSH, 2024)INSOL IN WATER, MISCIBLE WITH MOST ORGANIC SOLVENTSSOL IN ALL PROPORTIONS IN ALC, ETHER, N BENZENE, PYRIMIDENE, CARBON DISULFIDESoluble in ethanolit is miscible with diethyl ether, naphtha, pyridine, carbon tetrachloride, chloroform, and carbon disulfideorganic solvents: miscible |
| Flammpunkt | 173 °F (NIOSH, 2024)138 °F |
| Siedepunkt | 359 °F at 760 mmHg (NIOSH, 2024)181.6 °C 760 MM HG182 °C @760 [mm Hg]181-182 °C (lit.) |
| Schmelzpunkt | 29 °F (NIOSH, 2024)-1.8 °C-1.5 °C-5--3 °C (lit.) |
| Geruchsschwelle | Odor Threshold Low: 0.0042 [ppm]0.0038ppm |
| Dampfdruck | 1.1 [mmHg]1.1 mm Hg at 25 °C0.75 [mm Hg] @12 °C1.7 hPa (20 °C) |
| Brechungsindex | n20/D 1.595(lit.) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 20(at 25℃) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to pale yellow |
| Spezifische Wärmekapazität | Cp(liquid): 1.61 J/(g·K), at 25℃ |
| Merck | 14,4939 |
| BRN | 635873 |
| Henry-Konstante | 6.2×10-3 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable, but air and light sensitivemay polymerize upon exposure to light. Typically contains aroung 80 - 100 ppm of p-tert-butylcatechol as inhibitor. Refrigerate. Flammable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2 |
| InChIKey | YBYIRNPNPLQARY-UHFFFAOYSA-N |
| SMILES | C1C=Cc2ccccc12 |
| LogP (Verteilungskoeffizient) | 3.02 at 25℃ and pH6.4 |
| CAS Datenbank | 95-13-6(CAS DataBase Reference) |
| NIST chemische Informationen | Indene(95-13-6) |
| EPA chemische Informationen | Indene (95-13-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (2 of 400) of reports.DangerH226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 400 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Indene1H-Indene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Indene 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)Status: Active Update: 26-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27751Indene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Combustible Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Brandpotenzial | DEFLAGRATES ON HEATING. /INDENE PICRATE/ |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for Indene: |
| Gefahrenübersicht | Animals exposed to 800-900 ppm for six 7-hour periods show evidence of liver and kidney injury. [ACGIH] |
| Reaktive Gruppe | Hydrocarbons, Aromatic |
| Reactivity Alerts | Polymerizable |
| Reactivity Profile | INDENE is combustible (flash point between 140 °F and 200 °F). Polymerizes and oxidizes on standing in the air. This reaction is accelerated by heating, acids, and catalysts, including peroxides. Has exploded during nitration with a mixture of H2SO4 and HNO3. |
| Flammable Limits | Class IIIA Combustible Liquid: Fl.P. at or above 140 °F and below 200 °F. |
| Air and Water Reactions | Peroxide formation with air with initiation of polymerization |
| NIOSH Recommendations | Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 10 ppm (45 mg/cu m). |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Erste Hilfe | Excerpt from NIOSH Pocket Guide for Indene:(General first aid procedures) |
| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Preventive Measures | The worker should wash daily at the end of each work shift.Work clothing that becomes wet or significantly contaminated should be removed and replaced. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Respirator Recommendations | Important additional information about respirator selection |
| Threshold Limit Values (TLV) | 5.0 [ppm]8 hr Time Weighted Avg (TWA): 5 ppm.Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded.5 ppm [2007] |
| Permissible Exposure Limit (PEL) | 10 ppm (45 mg/m³) OSHA Construction and Maritime industries only.none See Appendix G |
| Protective Action Criteria (PAC) | 70 [mg/m3]100 [mg/m3]620 [mg/m3] |
| Recommended Exposure Limit (REL) | 10 ppm (45 mg/m³)TWA 10 ppm (45 mg/m3) |
| Personal Protective Equipment (PPE) | Excerpt from NIOSH Pocket Guide for Indene:Wear appropriate personal protective clothing to prevent skin contact.Wear appropriate eye protection to prevent eye contact. |
| Körperbelastung | Indene was detected in respiratory gas from 7 of 8 male volunteers (3 smokers) at a concn range of 0.14-83 ug/hr-expired airaccording to this study, indene may result from or be related to normal human metabolism(1). Indene was found at an average concn of 0.138 ng/L in 59 of 387 expired air samples obtained from 54 nonsmoking-volunteers(2). |
| Zielorgane | Eyes, skin, respiratory system, liver, kidneys, spleen |
| Umweltverhalten | TERRESTRIAL FATE: The estimated Koc value of 540(1-2,SRC) suggests that indene will have low mobility in soil(3). If spilled on soil surfaces, some indene may photolyze(4,SRC) or volatilize into the air (estimated Henry's Law constant of 1.59X10-3 atm-cu m/mol at 25 °C(5)). However, adsorption may limit these processes(SRC). Limited data suggest indene is biodegradable in soil(6-7).AQUATIC FATE: Based on the estimated Koc value of 540(1-2,SRC), indene may adsorb to sedimentindene was found in a river sediment(3). Oxidation via reaction with sunlight produced alkyl peroxy radicals is very slow (estimated half-life of 1,100 days(4)). Limited data suggest indene is biodegradable. Indene may be susceptible to some direct photolysis in sunlight(5)however, this is not expected to be an important removal process(SRC). Indene is not expected to hydrolyze in the aquatic environments(SRC). Volatilization from water is fast with estimated half-lives of 3.7 hrs and 4.4 days from a model river and model lake, respectively(1,SRC).ATMOSPHERIC FATE: Based upon a measured vapor pressure of 1.1 mm Hg at 25 °C(1), indene is expected to exist almost entirely in the vapor phase in the ambient atmosphere(2,SRC). Vapor-phase indene will degrade rapidly in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 6.2 hours(3,SRC). |
| Lebensmitteluntersuchungswerte | Indene was qualitatively identified as a volatile component of roasted filberts(1). |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Expositionspfade | inhalation, ingestion, skin and/or eye contact |
| Signs and Symptoms | In Animals: irritation eyes, skin, mucous membranedermatitis, skin sensitizationchemical pneumonitis (aspiration liquid)liver, kidney, spleen injury |
| Effluent Concentrations | Indene was qualitatively identified in effluents from a POTW facility in Sauget, Illinois(1). On October 24, 1974, indene was qualitatively found in advanced waste treatment concentrates from Lake Tahoe, CA(2). During August and September of 1979, indene was found at a concn range of 0.08-0.4 ug/cu-m in the Allegheny Mountain Tunnel in Pennsylvania(3). Indene was identified at a concn range of 10.3-137.6 ng/L in paper-mill effluents being discharged into the Rainy River(4). Indene was identified in a plume of contaminated water moving through sand away from creosote waste disposal lagoons(5). Indene was found at a concn of 1.28 in an air sample taken near an oil fire(6).Indene was found in a groundwater sample prior to coal gasification (0.03 ppm), process water during gasification (272 and 72 ppm), and aqueous condensate from low-BTU coal gasification (363 ppm)(1). Indene was found at a concn of 15 ng/L in a canal to a harbor of a freshwater lake before any boat traffic was observedafter 1,293 boats passed through the canal, the concn of indene was 74 ng/L(2). Indene has been detected in wastewater effluents from the timber products industry at a concn of 8,252 ng/ul extract(3). |
| Soil Adsorption/Mobility | Based on a measured log Kow of 2.92(2) and a regression derived equation(1), the Koc for indene can be estimated to be about 540(SRC). According to a suggested classification scheme(3), this Koc value suggests low mobility in soil. |
| Natural Pollution Sources | Indene is found in high-temperature coal tar at an average concn of 1 percent(1). It can be released to the environment in emissions from biomass combustion(2). |
| Atmospheric Concentrations | In 1977, indene was qualitatively identified in the air of six industrial cities of the former USSR(1). Indene was qualitatively found in the air of three South African cities during the summer of 1975-winter of 1976(2). Indene was qualitatively identified in air taken at Homebush Bay, Australia on June 3, 1975(3). Indene was qualitatively identified in Paris air on October 24, 1972(4). |
| Human Toxicity Excerpts | BY ANALOGY BETWEEN CHEMICAL STRUCTURE & TOXICOLOGICAL EFFECTS OF RELATED MONOAROMATIC HYDROCARBONS, INHALATION OF INDENE VAPORS CAN BE EXPECTED TO CAUSE IRRITATION OF MUCOUS MEMBRANES.THERE ARE ... SENSITIZING ACTIONS OF COUMARONE & INDENE, USED IN COPOLYMERIZATION WHEN MAKING COUMARONE-INDENE RESINS. USE OF THESE RESINS CONTAMINATED WITH TRACES OF MONOMERS CAN CAUSE ALLERGIC DERMATITIS. |
| F | 8 |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 10 ppm (45 mg/m3) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 3 |
| Zollcode | 2902 90 00 |
| RTECS-Nr. | NK8225000 |
| R-Sätze (R) | 10-65-36/37/38-20 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25-62-37/39-26 |
| Gefahrenklasse | 3Asp. Tox. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 95-13-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Preparation of coumarone-indene resins, intermediate.