ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト：[email protected]AIアクセス：llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
戻る
化工社化工社 化学情報印刷レポート · 研究参考用
HCID 8003作成日：2026年10月27日

ペンタン

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)

https://huagongshe.com/ja/chemical/8003

ペンタン の分子構造式

識別子と物理属性

CAS No.109-66-0
分子式C5H12
平均分子量72.15 g/mol
単同位体質量72.09390038 g/mol
SMILESCCCCC
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
PubChem CID8003
ChEMBLCHEMBL16102
ChEBICHEBI:37830
EC No.203-692-4
DTXSIDDTXSID2025846
現地名ペンタン

化学・物理的性質

XLogP3.4
極性表面積0
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
形式電荷0
複雑度7.5
物質分類Flammable agents - 4th degreeVolatile Organic Compound (VOC)
脂質Fatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
化粧品SolventPropellantEmollient
SpringerMaterials PropertiesGibbs energy
LogP（分配係数）log Kow = 3.39
臭いPleasantGasoline-like odorガソリンみたい。
密度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.)
Viscosity0.2224 mPa.sec at 25 °C (liquid)0,36 mm²/s
Color/FormColorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel].
溶解度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%エタノール: 可溶(点灯)不溶性
CorrosivityWill attack some forms of plastics, rubber, and coatings.
融点-130 °C
沸点36 °C
蒸気密度2.48 (vs air)
蒸気圧26.98 psi ( 55 °C)
屈折率n20/D 1.358
引火点−57 °F
貯蔵条件Store at +5°C to +30°C.
外観・状態液体
pKa（酸解離定数）>14 (Schwarzenbach et al., 1993)
比重0.63
色無色
臭気閾値1.4ppm
爆発限界1.4-8%(V)
比熱容量Cp(liquid): 2.32 J/(g·K), at 25℃
Merck14,7116
BRN969132
ヘンリー定数1.20 at 25 °C (Jnsson et al., 1982)
誘電率1.8(20℃)
化粧品成分の機能溶媒推進剤
InChI1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
SMILESCCCCC
LogP（分配係数）3.390
表面張力15.93mN/m at 293.15K
CAS データベース109-66-0(CAS DataBase Reference)
NISTの化学物質情報Pentane(109-66-0)
EPAの化学物質情報Pentane (109-66-0)

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

安全性と法規制

GHS 分類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]
規制情報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.)
その他の安全情報IMAP assessments - Pentane: Human health tier I assessment
輸送ラベル（DOT）Flammable Liquid
火災危険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.
火災の可能性Flammable in the presence of a source of ignition when the temperature is above the flash point.
健康有害性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.
有害性の概要Ingestion can cause aspiration into the lungsMay cause CNS effectsHigh atmospheric concentrations can cause oxygen deficiency leading to unconsciousness or death

用途

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.

製法・合成法

調製方法

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.]

[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]
輸送番号・ガイド（DOT）1265 128
反応性グループHydrocarbons, Aliphatic Saturated
EC 分類Symbol: F+, Xn, NR: 12-65-66-67-51/53S: (2)-9-16-29-33-61-62Note: C
UN 分類UN Hazard Class: 3UN Pack Group: I
TSCA 要件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: 1/26/94Reporting 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.
消火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.
応急処置措置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.
漏出応急措置· 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.
応急処置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)
安全保管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 HazardsContainers may explode.Shock can shatter metal containers and release contents.
暴露管理・個人防護· Wear positive pressure self-contained breathing apparatus (SCBA).1000.0 [ppm]
消火手順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.
保管条件Storage temp: ambient. Venting: open (flame arrester) or pressure-vacuum.
清掃方法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.
非火災時の漏出対応Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
処分方法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.
体内負荷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).
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)
相互作用Pentane is a weak cardiac sensitizer of the dog heart to epinephrine.
標的器官Eyes, skin, respiratory system, central nervous system
健康影響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)
生態毒性値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/
環境中動態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).
食品調査値n-Pentane was identified as a volatile constituent of freshly cooked fried chicken(1) and chickpeas(2).
有害作用Neurotoxin - Acute solvent syndrome
暴露経路inhalation, ingestion, skin and/or eye contactOral (T29)inhalation (T29)dermal (T29)
Milk Concentrationsn-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).
毒性の概要Pentane is a central nervous system depressant. It affects the peripheral nervous system through demyelinization and axonal degeneration. (T29)
大気基準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.
F3-10
職業暴露区分（OEB）A
職業暴露限界（OEL）TWA: 120 ppm (350 mg/m3), Ceiling: 610 ppm (1800 mg/m3) [15-minute]
水環境危害等級（WGK）2
生命健康即時危険濃度1,500 ppm [10% LEL]
TSCA 収載状態TSCA listed
RTECS 番号RZ9450000
輸送番号（UN）UN 1265 3/PG I/II (PENTANES, liquid)
毒性LC (in air) in mice: 377 mg/l (Fühner)
税関コード29011090
危険文句（R）12-51/53-65-66-67
化審法(2)-5
安衛法57,57-2
消防法危-4-特-I
危険表示F+,Xn,N,F
安全措置（S）9-16-29-33-61-62
危険等級3Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2STOT SE 3
包装等級II
自然発火温度500 °F
貯蔵分類3 - Flammable liquids
有害物質データ109-66-0(Hazardous Substances Data)