Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
프로필벤젠
N-프로필벤젠 · 프로필벤젠 · PROPYLBENZENE · Isocomene · Phenylpropane · Propylbenzol · 1-PHENYLPROPANE · Isocumene
식별자 및 물리적 특성
| CAS No. | 103-65-1 |
|---|---|
| 분자식 | C9H12 |
| 평균 분자량 | 120.19 g/mol |
| 단동위원소 질량 | 120.09390038 g/mol |
| SMILES | CCCc1ccccc1 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
| PubChem CID | 7668 |
| ChEMBL | CHEMBL286062 |
| ChEBI | CHEBI:42630 |
| EC No. | 203-132-9 |
| DTXSID | DTXSID3042219 |
| 현지명 | 프로필벤젠 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 60.4 |
| 물질 분류 | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| Solvents | Solvents -> Aromatic Solvents |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | log Kow= 3.693.79 |
| 밀도 | 0.862 (USCG, 1999) - Less dense than waterwill floatSpecific gravity: 0.8620 @ 20 °C/4 °C0.8593 @25 °C0.862 g/mL at 25 °C (lit.) |
| Color/Form | Colorless liquid |
| 용해도 | Very slightly sol in water (0.06 g/l)sol in alcohol, etherMiscible in ethanol, ethyl ether, and acetoneWater solubility of 23.4 mg/l at 25 °C.0.06g/L |
| 인화점 | 118 °F (USCG, 1999)86 °F (closed cup) |
| 끓는 점 | 318.2 °F at 760 mmHg (USCG, 1999)159.2 °C159.24 °C @760 [mm Hg]159 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| 녹는점 | -146.2 °F (USCG, 1999)-99.5 °C-99.6 °C-99 °C (lit.) |
| 증기 밀도 | 4.14 (Air= 1)4.14 (vs air) |
| 증기압 | 2 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.491(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | >14 (Schwarzenbach et al., 1993) |
| 색상 | 약간 노란색으로 맑음 |
| 후각 역치 | 0.0038ppm |
| 폭발한계 | 0.8-6%(V) |
| 용해도 | 알코올, 에테르, 아세톤, 벤젠, 석유 에테르와 섞입니다. 물과 약간 섞임. |
| 비열 | Cp(liquid): 1.79 J/(g·K), at 25℃ |
| Merck | 14,7844 |
| BRN | 1903006 |
| 헨리 상수 | 4.35, 6.21, 8.37, 11.6, and 15.3 at 10, 15, 20, 25, and 30 °C, respectively (headspace-GC, Perlinger et al., 1993) |
| 유전율 | 2.4(20℃) |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 환경 |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
| SMILES | CCCc1ccccc1 |
| LogP(분배 계수) | 3.690 |
| 표면장력 | 28.99mN/m at 20°C |
| NIST | Benzene, propyl-(103-65-1) |
| EPA | n-Propylbenzene (103-65-1) |
화학적 성질
colourless or light yellow liquid
안전 및 규제
| GHS 분류 | DangerH226: Flammable liquid and vapor [Warning 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 < 0.1% (1 of 1188) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Benzene, propyl-Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary SystemBenzene, propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, propyl- 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)Propylbenzene: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 화재 가능성 | Flammable, moderate fire risk.A very dangerous fire hazard when exposed to heat, flame, or oxidizers ... |
| 건강 유해성 | May be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| 유해성 요약 | In animal studies, it acts as a CNS depressant and general anesthetic. [HSDB] If left on clothes, can cause reddening of skin[CHRIS]The major hazards encountered in the use and handling of n-propylbenzene stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless liquid may occur from its use in textile dyeing and printing, as a solvent for cellulose acetate, and in the manufacture of methylstyrene. Effects from exposure may include burns to the skin and eyes, nausea, headache, dizziness, central nervous system depression, and unconsciousness. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the site. This substance is flammable and may be ignited by heat, sparks, or flames. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in enclosed spaces, such as sewers. Also, containers of n-propylbenzene may explode in the heat of a fire. For fires involving this substance, extinguish with dry chemical, CO2, water spray, fog, or alcohol-resistant foam. Isolate for 1/2 mile in all directions if tank, rail car or tank truck is involved in the fire. For small spills of n-propylbenzene, take up with sand or other noncombustible absorbent, and place into container for later disposal. Dike far ahead of large spills to contain for later disposal. |
용도
용도
n-Propylbenzene is used to prepare benzoic acid. It is employed as a solvent for gas chromatography. It is also used as a solvent and an intermediate in organic synthesis. Further, it is used in fuels and fuel additives.
일반 설명
A clear colorless liquid. Insoluble in water and less dense than water. Flash point 86°F. Mildly toxic by ingestion and inhalation. Used to make other chemicals.