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HCID 6556Erstellt: 26. Oktober 2026

Isopentane

https://huagongshe.com/de/chemical/6556

Molekülstruktur von Isopentane

Identifikatoren & physikalische Daten

CAS No.68513-65-5
SummenformelC5H12
Durchschnittliche Molmasse72,15 g/mol
Monoisotopische Masse72,09390038 g/mol
SMILESCCC(C)C
InChIKeyQWTDNUCVQCZILF-UHFFFAOYSA-N
PubChem CID6556
ChEMBLCHEMBL1797287
ChEBICHEBI:30362
EC No.201-142-8
DTXSIDDTXSID8025468

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen1
Schwere Atome5
Formalladung0
Komplexität14
StoffklassenFlammable agents - 4th degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
KosmetikaCosmetic ingredients (Isopentane) -> CIR (Cosmetic Ingredient Review)Viscosity controllingPropellantSolvent
SpringerMaterials PropertiesBoiling point
LogP (Verteilungskoeffizient)2.3
GeruchPleasant odorGasoline-like odor
Dichte0.62 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6201 g/cm cuat 20 °CRelative density (water = 1): 0.60.0620.62 @25 °C0.6201 g/cm3
Viscosity0.214 cP at 20 °C0.3 mm²/s at 20 °C
Color/FormVolatile liquid or gasColorless liquid
Löslichkeitless than 1 mg/mL at 73 °F (NTP, 1992)In water, 48 mg/L at 25 °CIn water, 49.6 mg/L at 25 °CInsoluble in waterMiscible with alcohol, etherSoluble in hydrocarbons, oils, ethervery slightly soluble in alcohol
Flammpunkt-70 °F (NTP, 1992)-51 °C (-60 °F) - closed cup<-60 °F (<-51 °C) - closed cup
Siedepunkt82 °F at 760 mmHg (NTP, 1992)27.83 °C28 °C30.2 °C @760 [mm Hg]27.8 °C
Schmelzpunkt-159.9 °C

Sicherheit & Vorschriften

GHS-EinstufungDangerH224: Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H224 (95.8%): Extremely flammable liquid and vapor [Danger Flammable liquids]
Regulatorische InformationenChemical: Butane, 2-methyl-Butane, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 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)Status: Active Update: 06-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15838Butane, 2-methyl-: HSNO Approval: HSR001177 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.)
Weitere SicherheitsinformationenIMAP assessments - Butane, 2-methyl-: Human health tier I assessment
DOT-KennzeichnungFlammable Liquid
BrandgefahrenBehavior in Fire: Highly volatile liquid. Vapors may explode when mixed with air. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Extremely flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive.
BrandpotenzialFlammable liquid. A very dangerous fire and explosion hazard when exposed to heat, flame or oxidizers.
GesundheitsgefahrenInhalation causes irritation of respiratory tract, cough, mild depression, irregular heartbeat. Aspiration causes severe lung irritation, coughing, pulmonary edemaexcitement followed by depression. Ingestion causes nausea, vomiting, swelling of abdomen, headache, depression. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
GefahrenübersichtCNS depression is observed in mice exposed for 5-60 minutes at concentrations of 90,000-120,000 ppm (9-12% by volume)Concentrations of 150,000-170,000 ppm are lethal for dogs. [HSDB] See n-Pentane.
DOT-Nummer und Handbuch1265 128
Reaktive GruppeHydrocarbons, Aliphatic Saturated
UN-EinstufungUN Hazard Class: 3UN Pack Group: I
Special ReportsFinal report of the safety assessment of isobutane, isopentane, n-butane, and propaneJ Am Coll Toxicol 1 (4): 127-42 (1982). Chemical, biological and physiochemical properties, cosmetic (aerosol) and noncosmetic uses, animal toxicology and skin toxicity of isopentane is discussed with 42 references.
Reactivity AlertsHighly Flammable
BrandbekämpfungFire Extinguishing Agents Not to Be Used: Water may be ineffectiveUse powder, carbon dioxide, alcohol-resistant foam, water spray. In case of fire: keep drums, etc., cool by spraying with water.
Erste-Hilfe-MaßnahmenFresh air, rest. Refer for medical attention.First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Do NOT induce vomiting. Refer immediately 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 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:
Sichere LagerungFireproof. Well closed. Separated from strong oxidants. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Firefighting HazardsFlash back possible over considerable distance. Container explosion may occur under fire conditions. Vapors may form explosive mixture with air.Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions.Heating will cause rise in pressure with risk of bursting.The vapor is heavier than air and may travel along the grounddistant ignition possible.
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).1000.0 [ppm]
BrandbekämpfungsverfahrenSuitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Wear self-contained breathing apparatus for firefighting if necessary.Use water spray to cool unopened containers.If 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 spread fire. 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. /Pentanes/For more Fire Fighting Procedures (Complete) data for Isopentane (7 total), please visit the HSDB record page.
LagerbedingungenKeep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature 2-8 °C Refrigerate before opening. Handle and open container with care.Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Prior to working with this chemical you should be trained on its proper handling and storage. Before entering confined space where this chemical may be present, check to make sure that an explosive concentration does not exist. Store in tightly closed containers in a cool, well-ventilated area way from strong oxidizers. Metal containers involving the transfer of this chemical should be grounded and bonded. Where possible, automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Sources of ignition, such as smoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create a potential fire or explosion hazard. Wherever this chemical is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.Fireproof. Well closed. Separated from strong oxidants. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
ReinigungsverfahrenACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.Environmental considerations: air spill: Apply water spray or mist to knock down vapors. /Pentanes/Environmental considerations: water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses. /Pentanes/Environmental considerations: land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. /Pentanes/For more Cleanup Methods (Complete) data for Isopentane (6 total), please visit the HSDB record page.
Freisetung ohne BrandExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
EntsorgungsverfahrenSRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this materialContaminated packaging: Dispose of as unused product.Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
KörperbelastungIsopentane was found in 6 of 8 personal air samples and 4 of 12 breath samples of subjects monitored in Bayonne and Elizabeth, NJ, and Research Triangle Park, NC(1). Isopentane was detected in 16 of 18 personal air samples of workers at a high volume service station monitored in May, 1983, at a concentration ranging from 0.1-1.3 ppm, and it was detected, but not measured, in the other 2 samples(2). Personal air samples taken from workers in the petroleum industry indicated that 53 of 56 outside operators were exposed to isopentane at mean concentration 4.851 mg/cu m, 49 of 49 transport drivers were exposed at a mean concentration of 9.979 mg/cu m and 48 of 49 service attendants were exposed at a mean concentration of 13.426 mg/cu m(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 AuswirkungenPentane is a central nervous system depressant and can cause loss of consciousness and coma at high doses. Ingestion may cause pulmonary toxicity due to pentane aspiration, including chemical pneumonitis, acute lung injury, and hemorrhage. Cardiovascular effects may include ventricular dysrhythmias and sudden death. (T29, A600)
ÖkotoxizitätswerteLC50Species: Oncorhynchus mykiss (rainbow trout)Concentration: 3.1 mg/L for 96 hrConditions: not specified
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a structure estimation method(2), indicates that isopentane is expected to have high mobility in soil(SRC). Volatilization of isopentane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4 atm-cu m/mole(SRC) derived from its vapor pressure, 689 mm Hg(3), and water solubility, 48 mg/L(4). Isopentane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Isopentane reached 71.43% biodegradation in 28 days in the Manometric Respirometry test(5), suggesting that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a structure estimation method(2), indicates that isopentane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4 atm-cu m/mole(SRC) derived from its vapor pressure, 689 mm Hg(4), and water solubility, 48 mg/L(5). Using this Henry's Law constant and an estimation method(6), volatilization half-lives for a model river and model lake are 2.5 hours and 3.4 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 30(SRC), from an estimated log Kow of 2.72(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Isopentane reached 71.43% biodegradation in 28 days in the Manometric Respirometry test(8), suggesting that biodegradation is an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isopentane, which has a vapor pressure of 689 mm Hg at 25 °C(2)is expected to exist solely as a gas in the ambient atmosphere. Gas-phase isopentane 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 4.1 days(SRC), calculated from its rate constant of 3.9X10-12 cu cm/molecule-sec at 25 °C(3). Isopentane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
LebensmitteluntersuchungswerteIsopentane was identified as a volatile component of fried bacon(1).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
ExpositionspfadeOral (T29)inhalation (T29)dermal (T29)
ToxizitätsübersichtSafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.orgIDENTIFICATION AND USE: Isopentane is a volatile liquid or gas. It is used as a solvent, in the manufacture of chlorinated derivatives, and as a blowing agent for polystyrene. HUMAN STUDIES: Inhalation can cause dizziness, drowsiness, headache, and unconsciousness. Skin exposure leads to dry skin. Ingestion can cause nausea and vomiting. Isopentane is an aspiration hazard. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis. Isopentane causes CNS depression between 270 and 400 mg/L, and is a weak cardiac sensitizer. High vapor concentrations are irritating to the skin and eyes. ANIMAL STUDIES: In dogs, 120,000 ppm isopentane was required to induce light anesthesia. Isopentane was lethal to dogs at levels of 150,000-170,000 ppm. Mice exposed to 90,000 ppm isopentane for 11 min showed light anesthesia. At higher concentrations (110,000 and 120,000 ppm), the CNS depression effect appeared within 4 and 2 min, respectively. In rats, no treatment-related effects of isopentane were found in relation to the reproductive capacity of parental animals or the pre- and post-natal development of the F1 generation. There were no treatment-related effects in either gender at </= 300 mg/kg/day. The mutagenic activity of isopentane has been assayed using the Ames test. At concentrations of 100,000 ppm, it was not mutagenic in the presence and absence of a metabolic activating system.Pentane is a central nervous system depressant. It affects the peripheral nervous system through demyelinization and axonal degeneration. (T29)
Plant ConcentrationsIsopentane was detected, not quantified in emissions from bay-leaved willow, aspen (Popular tremula), balsam poplar, European oak (Quercus robur), European larch (Larix sibirica), European fir (Picea excelsa), sorb, silver fir tree, red bilberry shrub (Vaccinium vitis-ideae), bilberry shrub (V. myrtillus), fern (Dryopteris felix-mas) and deciduous moss (Polytrichum commune)(1).
Signs and SymptomsDizziness. Drowsiness. Headache. Unconsciousness.Dry skin.No acute symptoms expected.Nausea. Vomiting. Aspiration hazard!Pentane is a central nervous system depressant and can cause anorexia, euphoria, dizziness, headache, depression, confusion, inability to concentrate, anoxia, narcosis, and loss of consciousness and coma at high concentrations. Contact with the skin results in cause drying, erythema, hyperpigmentation, hyperemia, dermatitis, burning pain, and blisters. (T14, T29, A600)
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Status of Agents Search page, which tabulates the results and current status of tests such as "Short-Term Toxicity Studies", "Long-term Carcinogenicity Studies", "Developmental Studies", "Genetic Toxicology Studies", etc., performed with this chemical. Testing status for isopentane is available.[Available from, as of March 27, 2018: https://ntpsearch.niehs.nih.gov/?e=True&ContentType=Testing+Status]
LuftstandardsThis 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. Isopentane is produced, as an intermediate or a final product, by process units covered under this subpart.
DHS Chemicals of Interest (COI)Isopentane110000Flammable chemical that can be released at a facility.
UN-Transportnummer1265
Gefahrenklasse3
VerpackungsgruppeI