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Methylcyclohexan
Sextone B · Cyclohexane,methyl- · sextoneb · Methylcyclohex · HEXAHYDROTOLUENE · methylecyclohexane · METHYLCYCLOHEXANE,OMNISOLV · Residual Solvent Class 2 - Methylcyclohexane
Identifikatoren & physikalische Daten
| CAS No. | 108-87-2 |
|---|---|
| Summenformel | C7H14 |
| Durchschnittliche Molmasse | 98,19 g/mol |
| Monoisotopische Masse | 98,10955045 g/mol |
| SMILES | CC1CCCCC1 |
| InChIKey | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| PubChem CID | 7962 |
| ChEBI | CHEBI:165745 |
| EC No. | 203-624-3 |
| DTXSID | DTXSID0047749 |
| Lokaler Name | Methylcyclohexan |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 42 |
| Stoffklassen | Flammable agents - 3rd degree |
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | log Kow = 3.61 |
| Geruch | Faint, benzene-like odor. |
| Dichte | 0.77 (USCG, 1999) - Less dense than waterwill float0.7694 @ 20 °C/4 °CRelative density (water = 1): 0.80.77 @ 20°C0.77 g/mL at 25 °C (lit.) |
| Color/Form | COLORLESS LIQUIDColorless liquid. |
| Löslichkeit | Insoluble (NIOSH, 2024)SOL IN ALCOHOL, ETHER, ACETONE, BENZENEMISCIBLE WITH PETROLEUM ETHER, CARBON TETRACHLORIDE14.0 mg/l at 20 °C /water/water solubility = 14.0 mg/l @ 25 °CSolubility in water: noneMiscible with acetone, benzene, ether, carbon tetrachloride, ethanol, insoluble in water.0.1 g/L (20 ºC) |
| Flammpunkt | 25 °F (USCG, 1999)-4 °C25 °F (-4 °C)(Closed cup)-6 °C o.c. |
| Siedepunkt | 213.8 °F at 760 mmHg (USCG, 1999)100.9 °C @ 760 MM HG101 °C214 °F100.3 °C @760 [mm Hg]101 °C (lit.) |
| Schmelzpunkt | -194.8 °F (USCG, 1999)-126.6 °C-126.7 °C-196 °F-126.4 °C-126 °C (lit.) |
| Dampfdichte | 3.4 (vs air) |
| Dampfdruck | 37 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.422(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Colorless |
| Geruch | Faint, petroleum-like |
| Geruchsschwelle | 0.15ppm |
| Explosionsgrenze | 1.1-6.7%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 1.88 J/(g·K), at 25℃ |
| Merck | 14,6047 |
| BRN | 505972 |
| Henry-Konstante | 0.0678 at 25.0 °C (Ramachandran et al., 1996) |
| Dielektrizitätskonstante | 2.1(25℃) |
| Stabilität | Stable. Very flammable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | environmental |
| InChI | 1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| SMILES | CC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 3.88 |
| CAS Datenbank | 108-87-2(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexane, methyl-(108-87-2) |
| EPA chemische Informationen | Methylcyclohexane (108-87-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexane, methyl-Cyclohexane, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, 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)Status: Active Update: 16-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15991Cyclohexane, methyl-: HSNO Approval: HSR001198 Approved with controlsThe 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 | Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback containing explosion may occur during fire conditions. Forms explosive mixtures in air. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| Brandpotenzial | DANGEROUS /FIRE HAZARD/ WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS |
| Gesundheitsgefahren | Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract and skin. Narcotic effects and dermititis. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| Gefahrenübersicht | Slight histopathological changes in the kidney and liver seen in subchronically exposed experimental animalsTLV Basis is kidney damage[ACGIH] A skin and eye irritantInhalation of high concentrations can cause CNS depression[ICSC] |
| DOT-Nummer und Handbuch | 2296 128 |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Saturated |
| EG-Einstufung | Symbol: F, Xn, NR: 11-38-51/53-65-67S: (2)-9-16-33-61-62 |
| UN-Einstufung | UN Hazard Class: 3UN Pack Group: II |
| Reactivity Alerts | Highly Flammable |
| OSHA Standards | Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 500 ppm (1200 mg/cu m).Vacated 1989 OSHA PEL TWA 400 ppm (1600 mg/cu m) is still enforced in some states. |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Rest. Refer for medical attention . |
| Freisetungsmaßnahmen | · 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. |
| Erste Hilfe | Excerpt from NIOSH Pocket Guide for Methylcyclohexane:General First Aid:(General first aid procedures) |
| Sichere Lagerung | Fireproof. Separated from strong oxidants. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).200.0 [ppm] |
| Brandbekämpfungsverfahren | FOAM, CARBON DIOXIDE, DRY CHEMICALIf material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. |
| Lagerbedingungen | Storage rooms should be bunded to prevent the spread of escaping liquid & electrical installations should be of flameproof type. |
| Reinigungsverfahren | Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personal hazard. Use water spray to knock-down vapors. |
| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Entsorgungsverfahren | Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. |
| Zielorgane | Eyes, skin, respiratory system, central nervous system |
| Ökotoxizitätswerte | LC50 Golden shiner 72.0 mg/l/96 hr (emulsion) /Conditions of bioassay not specified/ |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its vapour and by ingestion.inhalation, ingestion, skin and/or eye contact |
| Signs and Symptoms | Dizziness. Drowsiness.Dry skin.Redness.Nausea. Further see Inhalation.irritation eyes, skin, nose, throatdizziness, drowsinessIn Animals: narcosis |
| Natural Pollution Sources | Occurs naturally in Russian and Galician petroleum ... . |
| Human Toxicity Excerpts | VAPOR CAUSES BRIEF CENTRAL NERVOUS DEPRESSION LIKE CYCLOHEXANE. ... NO SYSTEMIC POISONINGS REPORTED ... .Nervous system disturbances - /CNS depression/.Lightheadedness, drowsinessNo toxic effects from industrial exposure nor any case of intoxication in humans by methylcyclohexane has been reported.... IRRITANT & DEFATTING ACTION ON THE SKIN. /CYCLOPARAFFINS/ |
| Artificial Pollution Sources | ... In cracked petroleums. |
| Environmental Biodegradation | Biodegradation: 75% after 192 hr at 13 °C (initial concentration: 0.05 ug/l) |
| Non-Human Toxicity Excerpts | INHALATION ... OF 7500 TO 10,000 PPM FOR TWO HOURS CAUSED PROSTRATION IN WHITE MICE, AND 10,000 TO 12,500 PPM WAS FATAL. ... ACUTE TOXICITY OF METHYLCYCLOHEXANE WAS GREATER THAN THAT OF HEPTANE, BUT LESS THAN THAT OF OCTANE. ... 1200 PPM /WAS REPORTED/ TO BE INNOCUOUS FOR RABBITS. PROLONGED EXPOSURE AT 370 PPM APPEARED TO BE HARMLESS TO MONKEYS.NO EFFECTS RESULTED FROM REPEATED EXPOSURES OF RABBITS AT 1160 PPM FOR 10 WEEKS, AND ONLY SLIGHT KIDNEY AND LIVER INJURY WAS OBSERVED AT 3330 PPM.ORAL DOSE IN RABBITS CAUSED MILD LETHARGY, SEVERE DIARRHEA AND CIRCULATORY COLLAPSE. VASCULAR & DEGENERATIVE LESIONS ARE SEEN IN KIDNEY & LIVER.RABBITS EXPOSED TO 15,000 PPM ... DIED IN 70 MIN. EFFECTS OBSERVED PRECEDING DEATH WERE: CONJUNCTIVAL CONGESTION, SALIVATION, LABORED BREATHING ... ./SRP: CNS DEPRESSION/ CONVULSIONS.For more Non-Human Toxicity Excerpts (Complete) data for METHYLCYCLOHEXANE (15 total), please visit the HSDB record page. |
| Probable Routes of Human Exposure | Inhalation, ingestion, eye and skin contact.No toxic effects from industrial exposure nor any case of intoxication in humans by methylcyclohexane has been reported.The air in 7 shoe (4 shoe and 3 shoe upper) factories was measured for the concentration of solvents including methylcyclohexane at different work places throughout the plant. Methylcyclohexane was found in the air in both places. The threshold limit value was exceeded in the gluing work places of factories without ventilation systems and in all shoe upper factories. |
| Toxicity Data | LCLo (rat) = 82,000 mg/m3/1H |
| Luftstandards | 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. Methylcyclohexane is produced, as an intermediate or a final product, by process units covered under this subpart. |
| F | 3-10 |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 400 ppm (1600 mg/m3) |
| Wassergefährdungsklasse (WGK) | 2 |
| Sofort lebensgefährliche Konzentration | 1,200 ppm [10% LEL] |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2296 |
| Zollcode | 2902 19 00 |
| RTECS-Nr. | GV6125000 |
| R-Sätze (R) | 11-38-51/53-65-67 |
| Toxizität | Acute oral LD50 for mice 2,250 mg/kg (quoted, RTECS, 1985). |
| Gefahrensymbole | F,Xn,N |
| Sicherheitshinweise (S) | 9-16-33-61-62 |
| Gefahrenklasse | 3Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 108-87-2(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 545 °F |
Anwendungen & Verwendung
Verwenden
Methylcyclohexane is an environmentally friendly coating, mainly used as solvent for ink, rubber, paint, varnish, oil and grease extraction solvent, chromatographic analysis standard substance, also can be used in organic synthesis and analytical reagents.
Verwenden
Methylcyclohexane is used as a solvent and reagent in organic synthesis and polymer chemistry. It is a component of jet fuel and also used as correction fluid in certain consumer products. It acts as a starting material for toluene synthesis