HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentan
N-PENTANE · PETANE · Pentan · 1-Pentane · N-PENTAN · n-C5H12 · NORMAL PENTANE · R601
Identifikatoren & physikalische Daten
| CAS No. | 109-66-0 |
|---|---|
| Summenformel | C5H12 |
| Durchschnittliche Molmasse | 72,15 g/mol |
| Monoisotopische Masse | 72,09390038 g/mol |
| SMILES | CCCCC |
| InChIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
| PubChem CID | 8003 |
| ChEMBL | CHEMBL16102 |
| ChEBI | CHEBI:37830 |
| EC No. | 203-692-4 |
| DTXSID | DTXSID2025846 |
| Lokaler Name | Pentan |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 7,5 |
| Stoffklassen | Flammable agents - 4th degreeVolatile Organic Compound (VOC) |
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| Kosmetika | SolventPropellantEmollient |
| SpringerMaterials Properties | Gibbs energy |
| LogP (Verteilungskoeffizient) | log Kow = 3.39 |
| Geruch | PleasantGasoline-like odor |
| Dichte | 0.626 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6262 g/cu cm at 20 °CRelative density (water = 1): 0.630.62 @ 20°C0.626 g/mL at 25 °C(lit.) |
| Viscosity | 0.2224 mPa.sec at 25 °C (liquid)0,36 mm²/s |
| Color/Form | Colorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel]. |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)In water, 38 mg/L at 25 °CMiscible with ethanol, ethyl ether, acetone, benzene, chloroformsoluble in carbon tetrachloride0.038 mg/mL at 25 °CSolubility in water, g/100ml at 20 °C: 0.004 (very poor)0.04%ethanol: soluble(lit.)insoluble |
| Corrosivity | Will attack some forms of plastics, rubber, and coatings. |
| Schmelzpunkt | -130 °C |
| Siedepunkt | 36 °C |
| Dampfdichte | 2.48 (vs air) |
| Dampfdruck | 26.98 psi ( 55 °C) |
| Brechungsindex | n20/D 1.358 |
| Flammpunkt | −57 °F |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
| Wichte | 0.63 |
| Farbe | Colorless |
| Geruch | Like a gasoline. |
| Geruchsschwelle | 1.4ppm |
| Explosionsgrenze | 1.4-8%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.32 J/(g·K), at 25℃ |
| Merck | 14,7116 |
| BRN | 969132 |
| Henry-Konstante | 1.20 at 25 °C (Jnsson et al., 1982) |
| Dielektrizitätskonstante | 1.8(20℃) |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTPROPELLANT |
| InChI | 1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 |
| InChIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
| SMILES | CCCCC |
| LogP (Verteilungskoeffizient) | 3.390 |
| Oberflächenspannung | 15.93mN/m at 293.15K |
| CAS Datenbank | 109-66-0(CAS DataBase Reference) |
| NIST chemische Informationen | Pentane(109-66-0) |
| EPA chemische Informationen | Pentane (109-66-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly 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)This chemical does not meet GHS hazard criteria for 0.8% (11 of 1378) of reports.H224 (16.4%): Extremely flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: PentaneRegulation (EC) No 178/2002 (amended)Pentane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane 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: 21-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15177Pentane: HSNO Approval: HSR001212 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 Sicherheitsinformationen | IMAP assessments - Pentane: Human health tier I assessment |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Behavior in Fire: Containers may explode (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. |
| Brandpotenzial | Flammable in the presence of a source of ignition when the temperature is above the flash point. |
| Gesundheitsgefahren | Low toxicity. Very high vapor concentrations produce narcosis. Aspiration into lungs can produce chemical pneumonitis and/or pulmonary edema. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| Gefahrenübersicht | Ingestion can cause aspiration into the lungsMay cause CNS effectsHigh atmospheric concentrations can cause oxygen deficiency leading to unconsciousness or death[ICSC] Very high vapor concentrations may cause narcosisHarmful by ingestion (may cause lung damage by aspiration)Vapor is not irritating to eyes or throatNearly harmless by skin contact[CHRIS] Causes painful burning sensation and itching on skin contactFive hour exposure causes blisters but no anesthesia[HSDB] May cause irritationInhalation may cause drowsiness or dizzinessAn aspiration hazard by ingestion (may cause lung injury)Targets the CNS, heart, and lungs[Sigma-Aldrich MSDS] |
| DOT-Nummer und Handbuch | 1265 128 |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Saturated |
| EG-Einstufung | Symbol: F+, Xn, NR: 12-65-66-67-51/53S: (2)-9-16-29-33-61-62Note: C |
| UN-Einstufung | UN Hazard Class: 3UN Pack Group: I |
| TSCA-Anforderungen | 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: 1/26/94Reporting date: 3/28/94.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. Pentane is included on this list. Effective date: 1/26/94Sunset date: 6/30/98. |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Use powder, carbon dioxide, alcohol-resistant foam, water spray. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh 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 Hilfe | 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.General First Aid:(General first aid procedures) |
| Sichere Lagerung | Fireproof. Separated from strong oxidants. Cool. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. |
| Firefighting Hazards | Containers may explode.Shock can shatter metal containers and release contents. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).1000.0 [ppm] |
| Brandbekämpfungsverfahren | Use water spry, alcohol-resistant foam, dry chemical or carbon dioxide.Wear self contained breathing apparatus for fire fighting if necessary.Use water spray to cool unopened containers. |
| Lagerbedingungen | Storage temp: ambient. Venting: open (flame arrester) or pressure-vacuum. |
| Reinigungsverfahren | Evacuate danger area! consult an expert! Personal protection: self-contained breathing apparatus. Ventilation. Remove all ignitino sources. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent...1) Remove all ignition sources. 2) Ventilate area of spill or leak. 3) For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. |
| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Entsorgungsverfahren | 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.Contact a licensed professional waste disposal service to dispose of this material. 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.The following wastewater treatment technologies have been investigated for pentane: Biological treatment. |
| Körperbelastung | n-Pentane was detected in 8 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville PA and Baton Rouge LA(1). |
| Treatment | Treatment 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) |
| Wechselwirkungen | Pentane is a weak cardiac sensitizer of the dog heart to epinephrine. |
| Zielorgane | Eyes, skin, respiratory system, central nervous system |
| Gesundheitliche Auswirkungen | Pentane 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) |
| Ökotoxizitätswerte | LC50Species: Artemia salina (Brine Shrimp) naupliiConditions: saltwater, static, 20 °CConcentration: 165 mmol/cu m for 24 hr /> or =97% purity/EC50Species: Daphnia magna (Water Flea) age 4-6 days, length 1.5 mmConditions: freshwater, static, 23 °C, pH 6-7, dissolved oxygen 5-9 mg/LConcentration: 135 mmol/cu m for 48 hr (95% confidence interval: 111-164 mmol/cu m)Effect: intoxication, immobilization /> or =97% purity/ |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 72(SRC), determined from a structure estimation method(2), indicates that n-pentane is expected to have high mobility in soil(SRC). Volatilization of n-pentane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.25 atm-cu m/mole(3). n-Pentane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 514 mm Hg at 25 °C(4). Screening studies have shown that n-pentane is biodegradable under aerobic conditions(5,6), and these studies suggest that this compound will biodegrade in soilhowever, volatilization from soil is expected to be the dominant environmental fate process of n-pentane(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 72(SRC), determined from a structure estimation method(2), indicates that n-pentane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.25 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.5 hrs and 3.4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 80(SRC), from its log Kow of 3.39(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Screening studies have shown that n-pentane is biodegradable under aerobic conditions(8,9), and these studies suggest that this compound will biodegrade in waterhowever, volatilization from water surfaces is expected to be the dominant environmental fate process of n-pentane(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-pentane, which has a vapor pressure of 514 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-pentane 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 3 days(3), calculated from its rate constant of 3.94X10-12 cu cm/molecule-sec at 25 °C(4). n-Pentane does not contain chromophores that absorb at wavelengths >290 nm(5) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Lebensmitteluntersuchungswerte | n-Pentane was identified as a volatile constituent of freshly cooked fried chicken(1) and chickpeas(2). |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Expositionspfade | inhalation, ingestion, skin and/or eye contactOral (T29)inhalation (T29)dermal (T29) |
| Milk Concentrations | n-Pentane was detected in 8 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville, PA and Baton Rouge LA(1). |
| Toxizitätsübersicht | Pentane is a central nervous system depressant. It affects the peripheral nervous system through demyelinization and axonal degeneration. (T29) |
| 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. n-Pentane is produced, as an intermediate or a final product, by process units covered under this subpart. |
| DHS Chemicals of Interest (COI) | Pentane110000Flammable chemical that can be released at a facility. |
| F | 3-10 |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 120 ppm (350 mg/m3), Ceiling: 610 ppm (1800 mg/m3) [15-minute] |
| Wassergefährdungsklasse (WGK) | 2 |
| Sofort lebensgefährliche Konzentration | 1,500 ppm [10% LEL] |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1265 3/PG I/II (PENTANES, liquid) |
| Zollcode | 29011090 |
| RTECS-Nr. | RZ9450000 |
| R-Sätze (R) | 12-51/53-65-66-67 |
| Toxizität | LC (in air) in mice: 377 mg/l (Fühner) |
| Gefahrensymbole | F+,Xn,N,F |
| Sicherheitshinweise (S) | 9-16-29-33-61-62 |
| Gefahrenklasse | 3Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 109-66-0(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 500 °F |
Anwendungen & Verwendung
Verwenden
n-Pentane occurs in volatile petroleum fractions(gasoline) and as a constituent ofpetroleum ether. It is used as a solvent, in themanufacture of low-temperature thermometers,and as a blowing agent for plastics.