Pentane

HCID 8003CAS 109-66-0

基本情報

標準SMILES
CCCCC
InChIKey
OFBQJSOFQDEBGM-UHFFFAOYSA-N
分子式
C5H12
平均分子量
72.15 g/mol
単同位体質量
72.09390038

概要

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.

名称と識別子

優先名称
Pentane
IUPAC
pentane
現地名
ペンタン
英語名
Pentane
分子式
C5H12
分子量
72.15

名称と別名

PENTANEn-Pentane109-66-0PentanSkellysolve APentanenPentaniAmyl hydrideTetrafumeTetrakilTetraspotDTXSID2025846
名称をさらに表示
ペンタン [標準物質]n-ペンタンnペンタンN-ペンタン(脱水)ペンタン [GC用標準物質]N‐ペンタンN‐ペンタン(脱水) ‐SUPER‐ペンタン ≥99% (GC)ペンタン AMD クロマソルブ,≥99%ペンタン PURISS. P.A.,≥99.0% (GC)ペンタン REAGENT GRADE,98%ペンタン SPECTROPHOTOMETRIC GRADE,≥99%ペンタン クロマソルブ FOR RESIDUE ANALYSIS (OF HIGH-VOLATILE HALOGENATED HYDROCARBONS),≥99.0%ペンタン クロマソルブ FOR RESIDUE ANALYSIS,≥99.0%ペンタン クロマソルブ,FOR HPLC,≥99.0%ペンタン,B&J BRANDN-ペンタン, IN METHANOL (1000ΜG/ML)ペンタン(超脱水)n - ペンタンペンタン,n-ペンタンPETANE1-PentaneN-PENTANn-C5H12NORMAL PENTANER601NP80
4FEX897A91NSC-72415DTXCID705846CHEBI:37830RefChem:6667203-692-4Pentanesnpentane

データベース識別子

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

物性

構造計算による物性

XLogP
3.4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
2
重原子数
5

実験および物理化学的性質

Chemical Classes · 2 件

Flammable agents - 4th degree

Volatile Organic Compound (VOC)

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
CosmeticsSolvent; Propellant; Emollient
SpringerMaterials PropertiesGibbs energy
LogP · 3 件

log Kow = 3.39

3.39

3.39

物理化学的性質

融点
-130 °C · -130 °C
沸点
36 °C · 36 °C
比重(密度)
0.626 g/mL · 0.626 g/mL at 25 °C(lit.)
蒸気密度
2.48 · 2.48 (vs air)
蒸気圧
26.98 psi · 26.98 psi ( 55 °C)
屈折率
20 · n20/D 1.358
化学的性質 · 3 件

化学的特性ペンタインは分子式C5H12を持つ炭化水素でありアルカン系に属します常温では気体または液体の形態をとり石油や天然ガスから抽出されることが一般的ですペンタインには異性体が存在しそれぞれ異なる物理的及び化学的性質を持ちます最もよく知られている異性体はnペンタンイソペンタンネオペンタンの三つです

化学的特性n-Pentane is a flammable liquid. It has applications in industry as an aerosol propellant and as an important component of engine fuel.pentane lewis structureN-propane is a CNS depressant. Studies with dogs have indicated that it induces cardiac sensitization. In high concentrations it causes incoordination and inhibition of the righting refl exes.N-pentane is being used primarily in Europe in integral-skin flexible foams. Pentane is twice as effective as CFC-11 as a blowing agent.

化学性质分子量7215gmol沸点36℃密度0626gcm320℃溶解性水にはほとんど溶けませんが有機溶剤には溶けやすい

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 6 件

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.)

Other Safety InformationIMAP assessments - Pentane: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 3 件

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.

Fire PotentialFlammable in the presence of a source of ignition when the temperature is above the flash point.
Health Hazards · 2 件

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.

安全と保護具

Fire Fighting · 2 件

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 · 4 件

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 · 2 件

· 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 · 3 件

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)

Safe StorageFireproof. 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 · 2 件

Containers may explode.

Shock can shatter metal containers and release contents.

毒性情報

Body Burdenn-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).
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)
InteractionsPentane is a weak cardiac sensitizer of the dog heart to epinephrine.
Target OrgansEyes, skin, respiratory system, central nervous system
Health Effects · 1 件

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 · 2 件

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/

法規制情報

TSCA Requirements · 2 件

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 · 1 件

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) · 4 件

Pentane

1

10000

Flammable chemical that can be released at a facility.

安全データ

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

化学と産業

薬理情報

Biological Half-Life... Gas-uptake pharmacokinetic studies in rats ... /have shown/ the elimination half-life of n-pentane to be about 0.13 hr.
Metabolism/Metabolites · 3 件

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 · 1 件

... 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.

Cellular LocationsMembrane

用途と製造

Uses · 6 件

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 · 6 件

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.

Consumer UsesSoil amendments (fertilizers)
Industry UsesIntermediate
Methods of Manufacturing · 3 件

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.

Formulations/PreparationsGrades: pure, technical, commercial.
応用分野 · 7 件

解説C5H12(72.15).CH3(CH2)3CH3.5個の炭素原子が直鎖状に結合したもので,異性体であるイソペンタン,ネオペンタンと区別して,n-ペンタンとよばれることも多い.また,これらの異性体のすべて,C5H12で表される脂肪族炭化水素の総称としても用いられる.原油および石油系炭化水素分解油中に存在する.実験室的には,tert-ペンチルアルコールと臭化水素酸とで得られる2-ブロモペンタンに,マグネシウムをブチルエーテル中で反応させ,得られた生成物を硫酸で分解して合成する.工業的には,ナフサおよび上記分解油中から分留により分離すると得られる.芳香をもつ引火性の無色の液体.融点-129.72 ℃,沸点36.07 ℃.d425"0.62139.nD25"1.35472.爆発範囲1.4~7.8体積%.炭化水素,油脂,エーテルに可溶,エタノールに微溶,水に不溶.用途はおもに抽出用溶剤に使用されるほかに,低温温度計,麻酔剤として使われる.[CAS 109-66-0]森北出版「化学辞典(第2版)

用途分光、ガスクロマト分析、溶剤、化粧品原料 イソペンタンとの混合物、樹脂の発泡剤、金属洗浄剤、接着剤、印刷インキ溶剤

用途低沸点溶剤、洗剤及び接着剤添加剤。

用途低沸点溶剤、機器分析の標準。

用途製氷用溶媒、抽出用溶剤

使用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.

一般的な説明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.

調製方法 · 3 件

Pentane is produced by fractional distillation of natural gas liquids and crude oil. It is also produced by the catalytic crackdown of naphtha.

合成方法ベンゼンの水素化の副反応により生成する

純化方法Stir the pentane with successive portions of conc H2SO4 until there is no further coloration during 12hours, then with 0.5N KMnO4 in 3M H2SO4 for 12hours, wash with water and aqueous NaHCO3. Dry it with MgSO4 or Na2SO4, then P2O5 and fractionally distil it through a column packed with glass helices. It is also purified by passage through a column of silica gel, followed by distillation and storage with sodium hydride. An alternative purification is by azeotropic distillation with MeOH, which is subsequently washed out from the distillate (using water), followed by drying and re-distilling. For removal of carbonyl-containing impurities, see n-heptane. Also purify it by fractional freezing (ca 40%) on a copper coil through which cold air is passed, then wash with conc H2SO4 and fractionally distil it. [Beilstein 1 IV 303.]

上流・下流製品情報

下流製品

5-METHOXY-QUINAZOLIN-4-YLAMINE1-ヘプタノール2-アミノ-5-ニトロピリミジン1,4-ジブロモペンタン2-Bromo-5-hydroxypyridine radical ion(1+)3-アミノピリダジン塩酸塩トリス〔3-(トリフルオロメチルヒドロキシメチレン)-D-カンフォラト〕ユウロピウム(III)セフェピム2-[2-[2-(2-ブトキシエトキシ)エトキシ]エトキシ]エタノールジ-tert-ブチルクロロホスフィンりん酸7-クロロビシクロ[3.2.0]ヘプタ-2,6-ジエン-6-イルジメチル1-シクロペンテンカルボン酸

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
補足説明 · 3 件

定義ペンタンは,アルカンに属する炭素5個の炭化水素の総称。n-ペンタン、イソペンタン(2-メチルブタン)、ネオペンタン(2,2-ジメチルプロパン)の3種の異性体が知られているが、普通、ペンタンというと直鎖状ペンタン、すなわちn-ペンタンをさす。n-ペンタンは石油や天然ガス中に含まれる。石油エーテルの主成分である。ガソリンに似たにおいをもつ可燃性液体で爆発限界は1.4~8.0%(空気中)。自動発火点は309℃。アルコール、エーテルにも溶ける。濃い蒸気は麻酔性を示す。マウスに対する致死量は12万8200ppmである。抽出溶剤、麻酔剤などに用いられる。イソペンタン、ネオペンタンは非常に気化しやすい液体で、ほとんど無臭である。

定義本品は、次の化学式で表される炭化水素である。

定義pentane: 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.

関連反応

2,668 件

関連ノート

読み込み中…