Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리메틸렌옥사이드
1,3-에폭시프로페인 · 트리메틸렌옥사이드 · OXETANE · Oxetan · Oxacyclobutane · OXECTANE · Cyclooxabutane · Trimethylenoxid
식별자 및 물리적 특성
| CAS No. | 503-30-0 |
|---|---|
| 분자식 | C3H6O |
| 평균 분자량 | 58.08 g/mol |
| 단동위원소 질량 | 58.04186481 g/mol |
| SMILES | C1COC1 |
| InChIKey | AHHWIHXENZJRFG-UHFFFAOYSA-N |
| PubChem CID | 10423 |
| ChEMBL | CHEMBL1538076 |
| ChEBI | CHEBI:30965 |
| EC No. | 207-964-3 |
| DTXSID | DTXSID8025969 |
| 현지명 | 트리메틸렌옥사이드 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 17.2 |
| 물질 분류 | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | log Kow= -0.14 |
| 냄새 | Agreeable aromatic odor기분 좋은 냄새 |
| 밀도 | 0.893 at 77 °F (NTP, 1992) - Less dense than waterwill float0.8930 @ 25 °C/4 °C0.893 g/mL at 25 °C(lit.) |
| Color/Form | Oil |
| 용해도 | 10 to 50 mg/mL at 68 °F (NTP, 1992)SOL IN ALL PROPORTIONS OF WATER, ALCOHOLSOL IN ETHERVERY SOL IN ACETONE, ORGANIC SOLVENTSIn water, miscible.1000g/L |
| 인화점 | -19 °F (NTP, 1992)-28 °C−19 °F |
| 끓는 점 | 122 °F at 760 mmHg (NTP, 1992)48 °C @ 750 mm Hg50 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 증기압 | 324.0 [mmHg]324 mm Hg @ 25 °C5.09 psi ( 20 °C) |
| 굴절률 | Index of refraction: 1.3895 @ 25 °C/Dn20/D 1.392(lit.) |
| 녹는점 | -97°C |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 폭발한계 | 2.4%(V) |
| 용해도 | 물에 용해됩니다. |
| Merck | 14,9715 |
| BRN | 102382 |
| 헨리 상수 | 4.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C3H6O/c1-2-4-3-1/h1-3H2 |
| InChIKey | AHHWIHXENZJRFG-UHFFFAOYSA-N |
| SMILES | C1COC1 |
| EPA | Oxetane (503-30-0) |
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | 1,3-Trimethylene oxide: HSNO Approval: HSR004981 Approved with controls |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | This chemical is flammable. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Exposure to this compound may cause irritation. |
| 유해성 요약 | A tumorigen and a mutagen[RTECS] May cause irritationHarmful by inhalation, ingestion, and skin absorption[CAMEO] An irritant[MSDSonline] |
| 반응성 그룹 | Epoxides |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,3-PROPYLENE OXIDE reacts with Grignard reagents and organolithium compounds. It is also incompatible with oxidizing agents and strong acids. (NTP, 1992). An explosion occurred when propylene oxide was added to epoxy resin. Polymerization was catalyzed by amine accelerator in the resin [Bretherick 1995]. Propylene oxide and sodium hydroxide base-catalyzed the polymerization of the former, causing ignition and explosion of a drum of the crude product. [Combust Sci. Technol., 1983]. |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquid - category 2 |
| Hazardous Reactivities and Incompatibilities | Strained ring oxygen heterocycles such as epoxides and exetanes react with the oxide in dichloromethane at sub-ambient temperatures to form high yields of the powerfully explosive glycol dinitrate esters. |
| 소화 |
용도
용도
Trimethylene oxide useful for the synthesis of 3-substituted propanols by reaction with Grignards or organolithiums in the presence of CuBr.
일반 설명
Clear, colorless liquid with an agreeable aromatic odor.