파라알데히드
2,4,6-트리메틸-1,3,5-트리옥산 · 파라아세트알데히드 · 파라알데히드 · 파르알데하이드 · 파라알데하이드 · 파알데히드 · ALDEHYDE · 2,4,6-TRIMETHYL-1,3,5-TRIOXANE

식별자 및 물리적 특성
| CAS No. | 123-63-7 |
|---|---|
| 분자식 | C6H12O3 |
| 평균 분자량 | 132.16 g/mol |
| 단동위원소 질량 | 132.07864424 g/mol |
| SMILES | CC1OC(C)OC(C)O1 |
| InChIKey | SQYNKIJPMDEDEG-UHFFFAOYSA-N |
| PubChem CID | 31264 |
| ChEMBL | CHEMBL1410743 |
| ChEBI | CHEBI:27909 |
| EC No. | 204-639-8 |
| DTXSID | DTXSID9023419 |
| 현지명 | 파라알데히드 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 27.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 63 |
| LogP(분배 계수) | 0.73Log Kow = 0.67 |
| 냄새 | CHARACTERISTIC AROMATIC ODORAgreeable odor불쾌한 맛, 향기로운 냄새 |
| 맛 | DISAGREEABLE TASTEBurning taste |
| 밀도 | 0.9943 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9923 @ 20 °C/4 °CSPECIFIC HEAT 0.434BULK DENSITY 8.27 LB/GAL (20 °C)0.99 g/cm³0.9943 @ 20°C0.994 g/mL at 20 °C (lit.) |
| Viscosity | 1.128 centipoise at 70 °F |
| Color/Form | COLORLESS, TRANSPARENT LIQUID |
| 용해도 | Sparingly soluble (NTP, 1992)125g/LSOL IN 8 PARTS WATER AT 25 °C17 PARTS BOILING WATERSol in water: 1 in 9 parts at 20 °C, 1 in 10 parts at 30 °C, & 1 in 11.5 parts at 37 °CSol in sodium chloride solution: 1 in 9.5 parts at 20 °C, 1 in 11 parts at 30 °C, & 1 in 12.5 parts at 37 °CMISCIBLE WITH ALC, CHLOROFORM, ETHER, OILS120g/L |
| Corrosivity | ... Has solvent /like/ action upon rubber, polystyrene, & styrene-acrylonitrile copolymer |
| 인화점 | 96 °F (NTP, 1992)96 °F (OPEN CUP)24 °C c.c.30 °F |
| 끓는 점 | 262 °F at 760 mmHg (NTP, 1992)124124.5 °C123.00 to 124.00 °C. @ 760.00 mm Hg124.3 °C @760 [mm Hg]65-82 °C |
| 녹는점 | 54.7 °F (NTP, 1992)1212.6 °C12 °C |
| 증기 밀도 | 4.5Relative vapor density (air = 1): 4.51.52 (vs air) |
| 증기압 | 25.89 psi ( 55 °C) |
| 굴절률 | n20/D 1.39 |
| FEMA | 4010 | PARALDEHYDE |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 16(at 25℃) |
| 물리적 상태 | 액체 |
| 색상 | 무색 액체 |
| 비중 | 0.994 |
| 폭발한계 | 1.3-17.0%(V) |
| 용해도 | 125g/L(25℃) |
| JECFA Number | 2299 |
| Merck | 13,7098 |
| BRN | 80142 |
| 헨리 상수 | 5.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 14.5(20℃) |
| 안정성 | 안정적인. 가연성. 강한 산화제, 무기산과 호환되지 않습니다. |
| InChI | 1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 |
| InChIKey | SQYNKIJPMDEDEG-UHFFFAOYSA-N |
| SMILES | CC1OC(C)OC(C)O1 |
| LogP(분배 계수) | 0.670 |
| NIST | Paraldehyde(123-63-7) |
| EPA | Paraldehyde (123-63-7) |
화학적 성질
Paraldehyde is a colourless to yellowish clear liquid. Pleasant, sweet odor. Less dense than water. Vapors are heavier than air.
안전 및 규제
| GHS 분류 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1566) of reports. |
|---|---|
| 규제 정보 | Chemical: 1,3,5-Trioxane, 2,4,6-trimethyl-DEA schedule IV controlled substanceSP - indicates a substance that is identified in a proposed Significant New Use Rule.Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/113371,3,5-Trioxane, 2,4,6-trimethyl-: HSNO Approval: HSR001209 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Emits toxic fumes on heating.Behavior in Fire: Can react vigorously when exposed to heat or flame. Vapor is heavier than air and may travel a considerable distance to source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Runoff to sewer may create fire or explosion hazard.· Containers may explode when heated.· Many liquids will float on water.Highly flammable. Above 24 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | DANGEROUS, WHEN EXPOSED TO HEAT, FLAME OR OXIDIZERS.FLAMMABLE LIQUID. |
| 건강 유해성 | INHALATION AND INGESTION: Irritation, headache, bronchitis, pulmonary edema. Irritating to digestive tract. Hypnotic and analgesic properties. Incoordination and drowsiness, followed by sleep. Larger doses-coma-weak pulse and shallow respiration, cyanosis-death from respiratory paralysis. EYES: irritation-can cause serious injury. SKIN: Dermatitis (skin inflammation). (USCG, 1999) |
용도
개요
Paraldehyde was first synthesized in 1829 by Wildenbusch and introduced into clinical practice in the United Kingdom by the Italian physician Vincenzo Cervello in 1882. Paraldehyde, a polymer of acetaldehyde, is a clear colorless or slightly yellow transparent liquid with a strong aromatic as well as a disagreeable taste that at low temperatures, it solidifies into a crystalline mass. This agent decomposes with strong into toxic products that may be released into water, soil, or atmosphere.
용도
Paraldehyde is used as solvent for fats, oils, waxes, rubber and resins; as substitute for acetaldehyde; as intermediate for organic chemicals, dyestuffs, accelerators for vulcanizations, rubber oxidants, etc. Product Data Sheet
일반 설명
Paraldehyde is recognizable as the cyclictrimer of acetaldehyde. It is a liquid with a strong characteristicodor detectable in the expired air and an unpleasanttaste. These properties limit its use almost exclusively toan institutional setting (e.g., in the treatment of deliriumtremens). In the past, when containers were opened and airadmitted and then reclosed and allowed to stand, fatalitiesoccurred because of oxidation of paraldehyde to glacialacetic acid.
제조 및 합성 방법
제조 방법
Prepared by the polymerization of acetaldehyde catalyzed by hydrochloric acid and sulfuric acid at medium to high temperatures.