Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,3-디옥산
1,3-다이옥세인 · 1,3-디옥산 · 1,3-Dioxacyclohexane · M-DIOXANE · 1,3-Dioxane · meta-dioxane · 1,3-Dioxane>1,3-DIOXANE(M-) · dihydro-m-dioxi
식별자 및 물리적 특성
| CAS No. | 505-22-6 |
|---|---|
| 분자식 | C4H8O2 |
| 평균 분자량 | 88.11 g/mol |
| 단동위원소 질량 | 88.0524295 g/mol |
| SMILES | C1COCOC1 |
| InChIKey | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| PubChem CID | 10450 |
| ChEMBL | CHEMBL5291273 |
| ChEBI | CHEBI:46924 |
| EC No. | 208-005-1 |
| DTXSID | DTXSID3025174 |
| 현지명 | 1,3-디옥산 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 32.5 |
| Polymers | Plastics & Rubber -> Other Monomers |
| SpringerMaterials Properties | Schoenflies notation |
| 밀도 | 1.0342 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0342 AT 20 °C/4 °C1.032 g/mL at 25 °C (lit.) |
| 용해도 | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)SOL IN WATER, ALC, ETHANOL, ACETONE, BENZENE |
| 인화점 | 35.6 °F (NTP, 1992)2 °C59 °F |
| 끓는 점 | 221 °F at 755 mmHg (NTP, 1992)105 °C AT 755 MM HG105-106 °C (lit.) |
| 녹는점 | -44 °F (NTP, 1992)-42 °C-45 °C (lit.) |
| 증기압 | 38.5 [mmHg]Vapor pressure= 39 mm Hg at 25 °C (estimated) |
| 굴절률 | INDEX OF REFRACTION: 1.4165 AT 20 °C/Dn20/D 1.418(lit.) |
| Physical Description | 1,3-dioxane is a clear colorless liquid. (NTP, 1992)[CAMEO] Miscible in water[HSDB] |
| Other Experimental Properties | ... Alcohol like odor ... /Dioxane/ |
| 저장 조건 | Flammables area |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 물에 완전히 섞임. |
| 비열 | Cp(liquid): 1.63 J/(g·K), at 25℃ |
| BRN | 102532 |
| 헨리 상수 | 1.8×100 mol/(m3Pa) at 25℃, O'Farrell and Waghorne (2010) |
| 안정성 | 안정적인. 가연성. 산화제와 호환되지 않습니다. 공기와 접촉하면 폭발성 과산화물을 형성할 수 있습니다. 불활성 가스에 보관하십시오. |
| InChI | InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2 |
| InChIKey | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| SMILES | O1CCCOC1 |
| EPA | 1,3-Dioxane (505-22-6) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): 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, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | This chemical is flammable. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and fumes. (NTP, 1992) |
| 유해성 요약 | See health effects of 1,4-Dioxane. [HSDB] The reported occupational toxicity of dioxane refers to the compound 1,4-Dioxane. [Sullivan, p. 1195-6] An irritant[MSDSonline] See 1,4-Dioxane. |
| FDA 요건 | Dioxane is an indirect food additive for use only as a component of adhesives. /Dioxane/ |
| 반응성 그룹 | Ethers |
| Special Reports | NIOSHCriteria Document: Dioxane p.20-1 (1976) DHEW Pub. NIOSH 77-226 |
| FIFRA 요건 | Dioxane is exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops only. /Dioxane/ |
| Reactivity Alerts | Highly Flammable |
| OSHA Standards | Permissible Exposure Limit: Table Z-1 8-hr Time-Weighted Avg: 100 ppm (360 mg/cu m). Skin Designation. /Dioxane/Vacated 1989 OSHA PEL TWA 25 ppm (90 mg/cu m), skin designation, is still enforced in some states. /Dioxane/ |
| Reactivity Profile | 1,3-DIOXANE is sensitive to heat. This chemical can react with oxidizers. (NTP, 1992) |
| 대기 기준 | 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. Dioxane is produced, as an intermediate or final product, by process units covered under this subpart. /Dioxane/ |
용도
용도
1,3-Dioxane has been employed as solvent in the synthesis of 8- and 9-membered dioxazocines and dioxazonines.
일반 설명
Clear colorless liquid.
제조 및 합성 방법
제조 방법
1,3-dioxane is prepared by the reaction of formaldehyde and 1,3-propanediol in the presence of Brnsted or Lewis acid catalysts.