Grundinformationen
- Standard-SMILES
CCCCC- InChIKey
OFBQJSOFQDEBGM-UHFFFAOYSA-N- Summenformel
- C5H12
- Durchschnittliche Molmasse
- 72,15 g/mol
- Monoisotopische Masse
- 72,09390038
Überblick
N-pentane appears as a clear colorless liquid with a petroleum-like odor. Flash point -57 °F. Boiling point 97 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air.
Namen und Bezeichner
- Bevorzugter Name
- Pentane
- IUPAC
- pentane
- Lokaler Name
- Pentan
- Englischer Name
- Pentane
- Summenformel
- C5H12
- Molmasse
- 72.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
109-66-0、68475-60-5、68476-43-7、68476-55-1、68647-60-9- PubChem CID
- 8003
- DTXSID
DTXSID2025846- ChEMBL
CHEMBL16102- ChEBI
CHEBI:37830- UNII
- 4FEX897A91
- EC Number
- 203-692-4
- Nikkaji
- J15I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 7,5
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Flammable agents - 4th degree
Volatile Organic Compound (VOC)
LogP
log Kow = 3.39
3.39
3.39
Odor
Pleasant
Gasoline-like odor
Density
0.626 at 68 °F (USCG, 1999) - Less dense than water; will float
0.6262 g/cu cm at 20 °C
Relative density (water = 1): 0.63
0.63
0.62 @ 20°C
0.63
Viscosity
0.2224 mPa.sec at 25 °C (liquid)
0,36 mm²/s
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
In water, 38 mg/L at 25 °C
Miscible with ethanol, ethyl ether, acetone, benzene, chloroform; soluble in carbon tetrachloride
0.038 mg/mL at 25 °C
Solubility in water, g/100ml at 20 °C: 0.004 (very poor)
0.04%
Physikochemische Eigenschaften
- Schmelzpunkt
- -130 °C · -130 °C
- Siedepunkt
- 36 °C · 36 °C
- Dichte
- 0.626 g/mL · 0.626 g/mL at 25 °C(lit.)
- Dampfdichte
- 2.48 · 2.48 (vs air)
- Dampfdruck
- 26.98 psi · 26.98 psi ( 55 °C)
- Brechungsindex
- 20 · n20/D 1.358
- Flammpunkt
- 57 °F · −57 °F
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- Löslichkeit
- ethanol: soluble(lit.)
- Aggregatzustand
- Liquid
- pka
- 14 · >14 (Schwarzenbach et al., 1993)
- Wichte
- 0.63 · 0.63
- Farbe
- Colorless
- Geruch (Odor)
- Like a gasoline.
- Odor Threshold
- 1.4 ppm · 1.4ppm
- Explosionsgrenze
- 1.4 · 1.4-8%(V)
- Wasserlöslichkeit
- insoluble
- Spezifische Wärmekapazität
- 2.32 J/ · Cp(liquid): 2.32 J/(g·K), at 25℃
- Merck
- 14 · 14,7116
- BRN
- 969132 · 969132
- Henry's Law Constant
- 1.2 at · 1.20 at 25 °C (Jnsson et al., 1982)
- Dielectric constant
- 1.8 · 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
- 3.39 · 3.390
- Oberflächenspannung
- 15.93 mN/m · 15.93mN/m at 293.15K
- CAS Datenbank
- 109 · 109-66-0(CAS DataBase Reference)
- NIST chemische Informationen
- Pentane(109-66-0)
- EPA chemische Informationen
- Pentane (109-66-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225: 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.
Danger
H224 (16.4%): Extremely flammable liquid and vapor [Danger Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Pentane
Regulation (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/15177
Pentane: HSNO Approval: HSR001212 Approved with controls
The 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.)
Fire Hazards
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.
Health Hazards
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.
Hazards Summary
Ingestion can cause aspiration into the lungs; May cause CNS effects; High atmospheric concentrations can cause oxygen deficiency leading to unconsciousness or death; [ICSC] Very high vapor concentrations may cause narcosis; Harmful by ingestion (may cause lung damage by aspiration); Vapor is not irritating to eyes or throat; Nearly harmless by skin contact; [CHRIS] Causes painful burning sensation and itching on skin contact; Five hour exposure causes blisters but no anesthesia; [HSDB] May cause irritation; Inhalation may cause drowsiness or dizziness; An aspiration hazard by ingestion (may cause lung injury); Targets the CNS, heart, and lungs; [Sigma-Aldrich MSDS]
DOT ID and Guide
1265 128
1265 128
TSCA Requirements
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: 1/26/94; Reporting 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: 1/26/94; Sunset date: 6/30/98.
Sicherheit und Schutzausrüstung
Fire Fighting
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.
First Aid Measures
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.
Accidental Release Measures
· 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.
First Aid
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)
Firefighting Hazards
Containers may explode.
Shock can shatter metal containers and release contents.
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
1000.0 [ppm]
Fire Fighting Procedures
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.
Cleanup Methods
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.
Disposal Methods
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.
Toxikologische Informationen
Health Effects
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)
Ecotoxicity Values
LC50; Species: Artemia salina (Brine Shrimp) nauplii; Conditions: saltwater, static, 20 °C; Concentration: 165 mmol/cu m for 24 hr /> or =97% purity/
EC50; Species: Daphnia magna (Water Flea) age 4-6 days, length 1.5 mm; Conditions: freshwater, static, 23 °C, pH 6-7, dissolved oxygen 5-9 mg/L; Concentration: 135 mmol/cu m for 48 hr (95% confidence interval: 111-164 mmol/cu m); Effect: intoxication, immobilization /> or =97% purity/
Environmental Fate
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 soil; however, 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 water; however, 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).
Exposure Routes
inhalation, ingestion, skin and/or eye contact
Oral (T29) ; inhalation (T29) ; dermal (T29)
Regulatorische Informationen
TSCA Requirements
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: 1/26/94; Reporting 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: 1/26/94; Sunset date: 6/30/98.
Atmospheric Standards
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)
Pentane
1
10000
Flammable chemical that can be released at a facility.
Sicherheitsdaten
- F
- 3-10
- OEB
- A
- OEL
- TWA: 120 ppm (350 mg/m3), Ceiling: 610 ppm (1800 mg/m3) [15-minute]
- wgk
- 2
- IDLA
- 1,500 ppm [10% LEL]
- tsca
- TSCA listed
- ridadr
- UN 1265 3/PG I/II (PENTANES, liquid)
- hs_code
- 29011090
- RTECS-Nr.
- RZ9450000
- risk_code
- 12-51/53-65-66-67
- Toxizität
- LC (in air) in mice: 377 mg/l (Fühner)
- hazard_code
- F+,Xn,N,F
- safety_code
- 9-16-29-33-61-62
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 109-66-0(Hazardous Substances Data)
- Hazard Classifications
- Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2STOT SE 3
- Selbstentzündungstemperatur
- 500 °F
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Excessive lipid peroxidation occurs in various diseases. However, even in health low levels of lipid peroxidation can be detected by measuring the pulmonary excretion of pentane. Lipid peroxidation has been postulated to be one of the causes of the ageing process. In order to test whether pentane excretion is related to age, we measured breath pentane in 47 healthy subjects (ages 21-79). We also measured serum levels of the antioxidants tocopherol, retinol, lycopene, beta carotene, ascorbate and zinc. We found that pentane excretion significantly (P < 0.05, r = 0.32) increased with age. Of the six antioxidants measured, only lycopene decreased significantly (P < 0.05, r = -0.47) with age, however, this decline did not statistically correlate with pentane excretion. The remaining five antioxidants either remained stable or increased over the age range studied. We conclude that lipid peroxidation, as assessed by pentane excretion, increases with advancing age but that this increase is independent of dietary antioxidant levels. /SRP: Pentane is formed from the lipid peroxidation of polyunsaturated fatty acids/
... The metabolism of n-pentane is saturable. The metabolic elimination rate was shown to be dependent on the atmospheric concn of n-pentane. Aliphatic hydroxylation is the major pathway by which n-pentane is metabolized. ... 2-Pentanol /was found/ to be the major metabolite (83-89%) formed in rat and rabbit liver microsomes. 3-Pentanol was also detected as a minor metabolite (11-16%). Ketone and aldehyde metabolites of n-pentane and 1-pentanol were not detected in the microsomal incubation mixture. ... 2- and 3-pentanol are metabolized in rats and rabbits to glucuronic acid conjugates or oxidized to ketone products that are excreted in the urine or expired air. Therefore, pentanol metabolites arising from the metabolism of n-pentane would also be expected to undergo similar metabolic transformation. ...
Pentane is absorbed following inhalation and ingestion, and to a small extent from dermal exposure. Once in the body it distributes to the tissues and blood, with the highest concentration in the adipose tissue. Pentane is metabolized by the cytochrome P-450 system. The main metabolite is 2-pentanol, followed by 3-pentanol, and 2-pentanone. These intermediates are further metabolized to glucuronic acid conjugates or oxidized to ketone products, which are excreted in the urine and expired air. (A600)
Absorption, Distribution and Excretion
... From results of studies which measured respiratory absorption of n-hexane and n-heptane ... significant absorption of pentane via the lungs /can be predicted/. ... Dermal absorption of liquid n-pentane would not be expected to be significant, since it would rapidly evaporate from the skin ... /Under occluded conditions/ n-pentane penetrates through full-thickness rat skin at a rate of 2.2 ug/sq cm/hr. ... It does partition into human tissues and blood. n-Pentane was found to be less soluble in blood than n-hexane or n-heptane. The measured blood/air partition coefficient was found to be 0.38, 0.80, and 1.9 for n-pentane, n-hexane, and n-heptane, respectively. Of seven tissues studied, n-pentane showed the highest solublility in adipose tissue followed by brain, liver, muscle, kidney, lung, and heart.
Verwendung und Herstellung
Uses
Used as a chemical raw material and in lighter fluids, blowtorch fuels, laboratory solvents, blowing agents for plastics, gasoline additives, and aerosol propellants; [HSDB] Used as foaming agent for expanded polystyrene (EPS) and polyurethane, process diluent/carrier for polymerizations, formulation solvent in adhesives, and for other minor uses (pharmaceuticals, degreasing agents, lubricants, stain removers, and cleaning agents); [ExPub: CPS&Q: RARs - Final Risk Assessment Report]
Working with Glues and Adhesives [Category: Other]
For pentane (USEPA/OPP Pesticide Code: 098001) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
Constituent in motor and aviation fuel; in solvent extraction processes, as a general laboratory solvent, and as a medium solvent for polymerization reactions; as raw material for production of olefins and other industrial chemicals like amyl chloride. Pentane is used in the manufacture of ice and low-temperature thermometers.
Additive in automotive, aviation and farm fuels.
Artificial ice manufacture, low-temperature thermometers, solvent extraction processes, blowing agent in plastics (e.g. expandable polystyrene), pesticide.
U.S. Production
2023: 2,500,000,000 - <4,000,000,000 lb
(1972) PROBABLY GREATER THAN 4.54X10+5 G
(1975) PROBABLY GREATER THAN 1.82X10+6 G
(1984) 4.89X10+10 g
(1987) 2.84X10+8 lb
For more U.S. Production (Complete) data for n-Pentane (8 total), please visit the HSDB record page.
Methods of Manufacturing
n-Pentane ... /is/ present in light gasoline fractions and can be recovered ... by superfractionation, possibly in combination with molecular sieve separation.
Fractional distillation from petroleum, purified by rectification.
Separation from natural gasoline; ... from virgin naphthas. ... Prepared by dehydration and subsequent hydrogenation of 2- and 3-pentanol; ... from 2-bromopentane by Grignard reaction.
General Manufacturing Information
Wholesale and Retail Trade
Pentane: ACTIVE
Occurs in petroleum. Constituent of petroleum ether
Anwendungen
Verwendenn-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.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
Definitionpentane: A straight-chain alkanehydrocarbon, C5H12; r.d. 0.63; m.p.–129.7°C; b.p. 36.1°C. It is obtainedby distillation of petroleum.
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