Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1.4-디에틸벤젠
1,4-다이에틸벤젠 · 1,4-디에틸벤젠 · 1.4-디에틸벤젠 · Benzene, 1,4-diethyl- · PDEB · P-DIETHYLBENZENE · para-Diethylbenzene · 1.4-Diethylben
식별자 및 물리적 특성
| CAS No. | 105-05-5 |
|---|---|
| 분자식 | C10H14 |
| 평균 분자량 | 134.22 g/mol |
| 단동위원소 질량 | 134.10955045 g/mol |
| SMILES | CCc1ccc(CC)cc1 |
| InChIKey | DSNHSQKRULAAEI-UHFFFAOYSA-N |
| PubChem CID | 7734 |
| ChEMBL | CHEMBL3187283 |
| ChEBI | CHEBI:34062 |
| EC No. | 203-265-2 |
| DTXSID | DTXSID4026711 |
| 현지명 | 1.4-디에틸벤젠 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 66 |
| Solvents | Solvents -> Aromatic Solvents |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | log Kow= 4.454.22 |
| 냄새 | Characteristic aromaticlike benzene, like toluene |
| 밀도 | 0.8620 @ 20 °C/4 °C0.862 g/mL at 25 °C(lit.) |
| Viscosity | 3.6X10-3 Pa.s @ 230.32 K |
| 용해도 | Miscible in ethanol, ethyl ether and acetoneSoluble in alcohol, benzene, carbon tetrachloride, ether. /Diethylbenzene/In water, 24.8 mg/l @ 25 °C.24.8mg/L |
| 인화점 | 55 °C132 °F (55 °C) (Closed cup)134 °F |
| 끓는 점 | 183.7 °C184 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. /Diethyl benzene/ |
| 녹는점 | -42.83 °C-43 °C |
| 증기압 | 1.06 [mmHg]1.03 mm Hg @ 25 °C0.99 mm Hg ( 20 °C) |
| 증기 밀도 | >1 (vs air) |
| 굴절률 | n20/D 1.495(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 폭발한계 | 0.8%(V) |
| 후각 역치 | 0.00039ppm |
| 용해도 | 물에 녹지 않습니다. 그러나 에탄올, 벤젠, 사염화탄소에는 용해됩니다. |
| BRN | 1903396 |
| 헨리 상수 | 1.3×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | DSNHSQKRULAAEI-UHFFFAOYSA-N |
| SMILES | CCc1ccc(CC)cc1 |
| LogP(분배 계수) | 4.06 at 25℃ |
| EPA | p-Diethylbenzene (105-05-5) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1120 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Benzene, 1,4-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-diethyl- 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: 16-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/120501,4-Diethylbenzene: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 가능성 | Flammable liquid when exposed to heat or flame ... /Diethyl benzene/COMBUSTIBLE ... MODERATE FIRE RISK. /DIETHYLBENZENE/ |
| 유해성 요약 | Volunteers complain of severe eye irritation and lacrimation at 2000 ppm[HSDB] An irritantEffects in high-dose animal studies include general anesthesia and liver changes[MSDSonline]The major hazards encountered in the use and handling of 1,4-diethylbenzene stem from its toxicologic properties and flammability. Exposure to this colorless, aromatic-smelling liquid may occur through dermal contact or inhalation at places where it is produced or used as a plasticizer, solvent, chemical intermediate in the manufacture of divinylbenzene, or in powderless etching. Effects from exposure may include contact burns to the skin and eyes. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, 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 and shoes should be removed at the site. 1,4-Diethylbenzene may be ignited by heat, sparks, or flames. Also, containers of this substance may explode in the heat of a fire. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in confined spaces such as sewers. For fires involving 1,4-diethylbenzene, extinguish with dry chemical, CO2, water spray, fog, or standard foam. Isolate the area for 1/2 mile in all directions if a tank, rail car, or tank truck is involved in the fire. Small spills of 1,4-diethylbenzene may be taken up with sand or other noncombustible absorbent and placed into containers for later disposal. For a large spill, use water spray to reduce the vapor, and dike far ahead of the spill to prevent runoff. |
용도
용도
1,4-Diethylbenzene, is used as a solvent and an intermediate in the manufacture of other organic compounds for the finished products of such as curing agents, engineering plastics andcross-linking agents.