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HCID 7296Erstellt: 3. November 2026

Methylcyclopentan

MCP · 1-Methylcyclopentane · Methylcyclopentane,97% · NSC 24836 · Methylcyclopen · Methylcyclopentan · methyl-Cyclopetane · METHYLCYCLOPENTANE

https://huagongshe.com/de/chemical/7296

Molekülstruktur von Methylcyclopentan

Identifikatoren & physikalische Daten

CAS No.96-37-7
SummenformelC6H12
Durchschnittliche Molmasse84,16 g/mol
Monoisotopische Masse84,09390038 g/mol
SMILESCC1CCCC1
InChIKeyGDOPTJXRTPNYNR-UHFFFAOYSA-N
PubChem CID7296
ChEMBLCHEMBL30940
ChEBICHEBI:88429
EC No.202-503-2
DTXSIDDTXSID3025590
Lokaler NameMethylcyclopentan

Chemische & physikalische Eigenschaften

XLogP3,4
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen0
Schwere Atome6
Formalladung0
Komplexität33,3
StoffklassenFlammable agents - 3rd degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
LogP (Verteilungskoeffizient)log Kow = 3.37
GeruchLike gasoline
Dichte0.749 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7486 @ 20 °C/4 °C0.750 @ 20°C0.749 g/mL at 25 °C(lit.)
Color/FormCOLORLESS LIQUID
Löslichkeitless than 1 mg/mL at 72 °F (NTP, 1992)Insoluble in water, miscible in ethanol, ether, and acetone.water solubility = 42 mg/l @ 25 °CIn methanol, g/L: 380 at 5 °C, 415 at 10 °C, 500 at 15 °C, 595 at 20 °C, 740 at 25 °C, 1,100 at 30 °C. Miscible at higher temperatures (Kiser et al., 1961).41.8mg/L(25 ºC)
Flammpunkt-11 °F (NTP, 1992)Less than 20 °F (less than -7 °C) (Closed Cup)−11 °F
Siedepunkt161.2 °F at 760 mmHg (NTP, 1992)71.8 °C @ 760 MM HG71.8 °C @760 [mm Hg]72 °C(lit.)
Schmelzpunkt-224.3 °F (NTP, 1992)-142.5 °C-139.8 °C-142.4 °C
Dampfdichte2.9 (NTP, 1992) - Heavier than airwill sink (Relative to Air)2.9 (AIR= 1)
Dampfdruck232.8 mm Hg ( 37.7 °C)
Brechungsindexn20/D 1.409(lit.)
LagerbedingungenStore below +30°C.
AggregatzustandAdhering Crystals
FarbeWhite
GeruchLike gasoline.
Explosionsgrenze8.35%
Geruchsschwelle1.7ppm
BRN1900214
Henry-Konstante0.362 atmm3/mol at 25 °C (Hine and Mookerjee, 1975)
Dielektrizitätskonstante2.0(20℃)
InChI1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyGDOPTJXRTPNYNR-UHFFFAOYSA-N
SMILESCC1CCCC1
LogP (Verteilungskoeffizient)3.37 at 20℃
CAS Datenbank96-37-7(CAS DataBase Reference)
EPA chemische InformationenMethylcyclopentane (96-37-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.2% (1 of 549) of reports.DangerH225 (98.5%): 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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 549 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Cyclopentane, methyl-Cyclopentane, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentane, 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: 20-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24573Methylcyclopentane: 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-KennzeichnungFlammable Liquid
BrandgefahrenBehavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
BrandpotenzialDANGEROUS, UPON EXPOSURE TO HEAT OR FLAMECAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.
GesundheitsgefahrenInhalation causes dizziness, nausea, and vomitingconcentrated vapor may cause unconsciousness and collapse. Liquid causes irritation of eyes and mild irritation of skin if allowed to remain. Ingestion causes irritation of stomach. Aspiration causes severe lung irritation, rapidly developing pulmonary edema, and central nervous system excitement followed by depression. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Anwendungen & Verwendung

Verwenden

Methylcyclopentane can undergo ring opening or ring enlargement to yield various hydrocarbons including branched and unbranched hexanes, cyclohexane and benzene.

Herstellung & Synthese

synthetische

Methylcyclopentane mainly exists in industrial hexane, accounting for about 5%. However, because its boiling point is close to that of n-hexane (68.74°C), it is difficult to completely separate it by general rectification methods. Therefore, methylcyclopentane with a purity of more than 99% can be obtained by azeotropic distillation with methanol.

GefahrenübersichtA dangerous fire and explosion risk[Hawley] An eye and mild skin irritant[HSDB] An eye and mild skin irritantInhalation of high concentrations can cause CNS depression[CAMEO] A mild skin and temporary eye irritant[CHEMINFO] An irritantEffects in high-dose animal studies include general anesthesia[MSDSonline]
DOT-Nummer und Handbuch2298 128
Reaktive GruppeHydrocarbons, Aliphatic Saturated
TSCA-AnforderungenPursuant 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. Methylcyclopentane is included on this list.
Reactivity AlertsHighly Flammable
Reactivity ProfileMETHYLCYCLOPENTANE can react vigorously with oxidizers. (NTP, 1992).
Flammable LimitsLOWER = 1.0%UPPER = 8.35%
BrandbekämpfungExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
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 HilfeEYES: 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.General First Aid:
Firefighting HazardsFlashback along vapor trail may occur.
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).500.0 [ppm]
BrandbekämpfungsverfahrenWATER MAY BE INEFFECTIVE.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources.
LagerbedingungenIN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN COOL, WELL VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED...
Freisetung ohne BrandExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
EntsorgungsverfahrenSRP: 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 MeasuresSRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.If material not on fire and not involved in fire: Keep sparks, flames, and other source 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 personnel hazard.Personnel protection: Keep upwind. Avoid breathing vapors.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Immediate precautionary measure
Threshold Limit Values (TLV)500.0 [ppm]1000.0 [ppm]
KörperbelastungMethylcyclopentane was detected in the expired air from 4 out of 8 subjects(all male: 2 smokers and 2 non-smokers) at levels of 0.98 and 0.027 ug/hour for the non-smokers and 11.0 and 0.31 ug/hour for the smokers(1). Methylcyclopentane was detected in the expired air from a control, prediabetic, and diabetic population of 62 non-smokers(2). Methylcyclopentane has been identified in 4 out of 12 human breath samples from subjects in New Jersey (nine people) and in North Carolina (3 people)(3).
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Gesundheitliche AuswirkungenPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
UmweltverhaltenTERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1600(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that methylcyclopentane should have low mobility in soil(SRC). Volatilization of methylcyclopentane may be important from moist soil surfaces(SRC) given an experimental Henry's Law constant of 0.369 atm-cu m/mole(4), and from dry soil surfaces(SRC) based on an experimental vapor pressure of 138 mm Hg(5). Insufficient data are available to determine the rate or importance of biodegradation of methylcyclopentane in soil(SRC).AQUATIC FATE: An estimated Koc value of 1600(SRC), determined from an experimental log Kow(1) and a recommended regression-derived equation(2), indicates that methylcyclopentane should adsorb to suspended solids and sediment(SRC) in the water(2,SRC). Methylcyclopentane would volatilize from water surfaces(2,SRC) based on an experimental Henry's Law constant of 0.369 atm-cu m/mole(3). Estimated half-lives for a model river and model lake are 2.7 hours and 3.6 days, respectively(2,SRC). An estimated BCF value of 210(2,SRC), from an experimental log Kow(1), suggests that methylcyclopentane will bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(4). Insufficient data are available to determine the rate or importance of biodegradation of methylcyclopentane in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methylcyclopentane, which has an experimental vapor pressure of 138 mm Hg at 25 °C(2) will exist primarily in the vapor phase in the ambient atmosphere. Vapor-phase methylcyclopentane is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 2.3 days(3,SRC). Particulate-phase methylcyclopentane may be physically removed from the air by wet deposition(SRC).
LebensmitteluntersuchungswerteMethylcyclopentane has been identified as a volatile component of baked potatoes(1) and beef(2).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
ExpositionspfadeOral (L400)inhalation (L400)dermal (L400)
Milk ConcentrationsMethylcyclopentane was qualitatively found in samples of mother's milk collected from Bayonne, NJ (1 sample), Jersey City, NJ (1 sample), Pittsburgh, PA (2 samples), and Baton Rouge, LA (2 samples)(1).
ToxizitätsübersichtPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and SymptomsPetroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)
Effluent ConcentrationsOTHER EFFLUENTS: Methylcyclopentane was detected during the incineration of plastics(1). Methylcyclopentane was detected in 10 out of 63 industrial effluents (9 samples were less than 10 ug/l and 1 sample was in the range of 10-100 ug/l)(2).Methylcyclopentane represents 0.8% (by weight) of the hydrocarbons (non-methane organic gases) in engine exhaust, 1.1% for headspace gasoline vapors, and 2.5% for whole gasoline(1). Levels of methylcyclopentane from jet engine exhaust from flight condition simulation experiments using two engine types (YJ93-GE-3 and J85-GE-SB) ranged from 0.06-6.9 ppm C depending on where in the exhaust stream the measurement was taken(2). Average methylcyclopentane concns taken from 8 trips in a car (6 trips in a new car and 2 trips in older cars) and in a commuter train were 5.0 and 0.8 ug/cu m, respectively(3). Exhaust samples from 67 different automobiles with no emission control devices were found to contain an average of 1% wt/wt methylcyclopentane(4). The concn of methylcyclopentane in gasoline vapors from refueling cars at service stations ranged between 0.006 and 0.88 ppm(5). The average percentages of methylcyclopentane in three gasoline vapors are: Amoco Oil (bulk terminal exposure), 1.1 wt%Amoco Oil (marine loading exposure), 1.5 wt%and Shell Oil, 1.3 vol%(6). A study conducted in Atlanta (1990) found the average concn of methylcyclopentane in roadway, whole gas (average of six octanes), whole gas (87 octane), whole gas (89 octane), whole gas (92/93 octane), headspace gas (at 24 °C and average of six octanes), headspace gas (at 32 °C and average of six octanes), airport, and aircraft emissions were: 0.783, 1.10, 1.31, 1.04, 0.6, 0.81, 0.86, 0.6, and 0.344 ppbC%, respectively(7).Methylcyclopentane was detected in the Craebeckx Tunnel (Antwerp, Belgium) in 1991 at concns that were similar for congested (0.049 g/kg carbon and total yearly emissions: 188 tons/year) and non-congested traffic (0.039 g/kg carbon and total yearly emissions: 150 tons/year)(1). A study conducted in Chicago found the average concn of methylcyclopentane in regular fuel (87 octane), mid-grade (89 octane), premium (93 octane), hot soak, cold start, roadway, and petroleum refinery emissions to be 0.98, 0.84, 0.34, 1.17, 1.65, 1.22, and 0.83 wt%, respectively(2). In Southern California, the methylcyclopentane profile for various emissions for vehicle exhaust was 0.92, 1.77, 0.77, 0.00, 0.83, and 0.86 wt% for a 46 car study, 13 samples from the Caldecott Tunnel, cold start, stabilized, hot start, and from an older fleet, respectively(3). Gasoline emission profiles for methylcyclopentane are as follows: 0.69, 1.14, 0.20, 2.44, 2.19, 1.08, and 1.49 wt% for diurnal evaporative emissions (older fleet), hot soak evaporative emissions (older fleet), running loss (older fleet), summer liquid gas, winter liquid gas, summer gas headspace, and winter gas headspace, respectively(3). In oil field emissions (Tulsa, OK), methylcyclopentane was detected at average concn of 164.6 ppbC and approximately 85 ppbC for two different samples(4). A study conducted along US Highway 70 near Raleigh, NC detected methylcyclopentane in automobile emissions at average percents of 1.17, 1.09, 1.13, 1.22, 1.03, and 1.00 %ppbC at five different sites(5). Samples of air taken from the Tingstad Tunnel in Goteborg, Sweden, on five different days, contained methylcyclopentane at 1.6, 1.6, 1.8, 2.0, and 1.9% of non-methane volatile hydrocarbons(6). Methylcyclopentane composition in the vapor of different types of petrol is 2.2 (conventional "cracked" Statoil 95), 2.6 (conventional "reformate" Shell 95), 0.2 (reformulated "alkylate" Aspen 2T), and 0.04% (reformulated "alkylate" OK Special)(7).
Soil Adsorption/MobilityThe Koc of methylcyclopentane is estimated as approximately 1600(SRC), using an experimental log Kow of 3.37(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that methylcyclopentane should have low mobility in soil(SRC).
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2298
Zollcode2902 19 00
RTECS-Nr.GY4640000
R-Sätze (R)11-22-36/37/38-65
GefahrensymboleF,Xn
Sicherheitshinweise (S)16-26-33-36-62
Gefahrenklasse3Asp. Tox. 1Flam. Liq. 2
VerpackungsgruppeII
Lagerklasse3 - Flammable liquids
Gefahrstoffdaten96-37-7(Hazardous Substances Data)
Selbstentzündungstemperatur624 °F