큐멘
쿠멘 · 큐멘 · (1-메틸에틸)벤젠 · 메틸 에틸 벤젠 · 아이소프로필벤젠 · 큐몰 · 프로판-2-일벤젠 · 쿠메네
식별자 및 물리적 특성
| CAS No. | 101316-43-2 |
|---|---|
| 분자식 | C9H12 |
| 평균 분자량 | 120.19 g/mol |
| 단동위원소 질량 | 120.09390038 g/mol |
| SMILES | CC(C)c1ccccc1 |
| InChIKey | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
| PubChem CID | 7406 |
| ChEMBL | CHEMBL1398949 |
| ChEBI | CHEBI:34656 |
| EC No. | 202-704-5 |
| DTXSID | DTXSID1021827 |
| 현지명 | 큐멘 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 68.1 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Flammable agents - 3rd degreeVolatile Organic Compound (VOC) and(or) Waste-water effluent contaminant |
| Solvents | Solvents -> Aromatic Solvents |
| 화장품 | Cosmetics ingredient -> Other (Specify) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 3.66 |
| 냄새 | Gasoline-like odor... Sharp, penetrating, aromatic odor강하고 약간 자극적입니다. 향기로운향긋한. |
| 밀도 | 0.866 at 59 °F (USCG, 1999) - Less dense than waterwill floatSpecific gravity: 0.862 at 20 °C/4 °C% in saturated air at 38.3 °C and 760 mm Hg: 1.32density of saturated vapor-air mixture at 38 °C and 760 mm Hg (Air = 1): 1.03Relative density (water = 1): 0.900.864 @25 °C0.864 g/mL at 25 °C(lit.) |
| Viscosity | 0.737 mPa.sec at 25 °C0.85 mm²/s at 25 °C |
| Color/Form | Colorless liquid |
| Dispersion | Specific dispersion: 166.2 |
| 용해도 | Insoluble (NIOSH, 2024)In water, 61.3 mg/L at 25 °CIn water, 50 mg/L at 20 °CMiscible with ethanol, ethyl ether, acetone, benzene, petroleum ether, carbon tetrachlorideSoluble in many organic solvents0.0613 mg/mL at 25 °C0.05g/L |
| 녹는점 | −96 °C(lit.) |
| 끓는 점 | 152-154 °C(lit.) |
| 증기 밀도 | 4.1 (vs air) |
| 증기압 | 8 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.491(lit.) |
| 인화점 | 115 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | >14 (Schwarzenbach et al., 1993) |
| 색상 | 무색의 |
| 후각 역치 | 0.0084ppm |
| 폭발한계 | 0.8-6.0%(V) |
| 용해도 | 알코올, 에테르, 아세톤, 벤젠, 사염화탄소에 용해됩니다. 물에 불용성. |
| 비열 | Cp(liquid): 1.75 J/(g·K), at 25℃ |
| Merck | 14,2617 |
| BRN | 1236613 |
| 헨리 상수 | 13.0, 15.3, and 23.9 at 28.0, 35.0, and 46.1 °C, respectively (headspace method, Hansen et al., 1993) |
| 유전율 | 2.4(20℃) |
| 안정성 | 안정적이지만 보관 시 공기와 접촉하면 과산화물을 형성할 수 있습니다. 가열하거나 증류하기 전에 과산화물이 있는지 테스트하십시오. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccccc1 |
| LogP(분배 계수) | 3.55 at 20℃ |
| 표면장력 | 28.21mN/m at 20°C |
| NIST | Benzene, (1-methylethyl)-(98-82-8) |
| EPA | Cumene (98-82-8) |
화학적 성질
cumene is oxidized to its hydroperoxide, which is used to produce propene oxide. The alcohol produced is subsequently converted back to cumene over a copper-chromium oxide catalyst to be reused in the process. The advantage of this process is that cumene is easier to hydroperoxidate (more stable).
안전 및 규제
| GHS 분류 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P318, 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 < 0.1% (1 of 3187) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Benzene, (1-methylethyl)-Hazard Traits - CarcinogenicityDermatotoxicityEndocrine ToxicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityOcular ToxicityBenzene, (1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (1-methylethyl)- 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: 03-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15387Benzene, (1-methylethyl)-: HSNO Approval: HSR001184 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.) |
| 기타 안전 정보 | IMAP assessments - Benzene, (1-methylethyl)-: Environment tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 31 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Flammable liquid. |
| 건강 유해성 | Narcotic action with long-lasting effectsdepressant to central nervous system. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
용도
개요
Cumene is a common name for isopropylbenzene, an organic compound. Cumene is a volatile colorless liquid at room temperature with a characteristic sharp, penetrating, aromatic odor. It is insoluble in water but is soluble in alcohol and many other organic solvents. Cumene is structurally a member of the alkyl aromatic family of hydrocarbons, which also includes toluene (methylbenzene) and ethylbenzene.Cumene can be found in crude oil, refined fuels, and is a part of processed highoctane gasoline. Cumene is manufactured by reacting benzene with propylene at elevated temperature and pressure in the presence of a catalyst. It is considered an environmental pollutant because it is a natural component of petroleum and is present in tobacco smoke. Cumene vapor can be absorbed by the respiratory tract. Sufficiently high levels of exposure to cumene causes central nervous system (CNS) depression leading to death, internal bleeding of numerous organs, as well as irritation of the eyes and respiratory system, skin, and mucous membranes. Cumene is a high production volume chemical.
용도
Around 98% of cumene is used in the production of phenol and its coproduct, acetone, using cumene hydroperoxide as chemical intermediate. However, the demand for cumene is largely dependent on the performance of phenol’s derivatives, which have resulted in healthy growth rates in demand for cumene. It is also used as a starting material in the production of acetophenone, α-methylstyrene, diisopropylbenzene, and dicumylperoxide. Cumene is used as a thinner for paints, lacquers, and enamels. It is also used in the manufacture of acetophenone, methylstyrene, and other chemicals commonly found in home cleaning products. Minor uses of cumene include as a constituent of some petroleum-based solvents, such as naphtha; in gasoline blending diesel fuel and highoctane aviation fuel; and as a raw material for peroxides and oxidation catalysts such as polymerization catalysts for acrylic and polyester-type resins. It is also a good solvent for fats and resins and has been suggested as a replacement for benzene in many of its industrial applications.
일반 설명
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.