프로피온알데히드
프로피온알데히드 · 프로피온알데하이드 · PROPANAL · N-PROPANAL · PROPIONIC ALDEHYDE · 1-Propanone · Propional · Propanaldehyde
식별자 및 물리적 특성
| CAS No. | 123-38-6 |
|---|---|
| 분자식 | C3H6O |
| 평균 분자량 | 58.08 g/mol |
| 단동위원소 질량 | 58.04186481 g/mol |
| SMILES | CCC=O |
| InChIKey | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| PubChem CID | 527 |
| ChEMBL | CHEMBL275626 |
| ChEBI | CHEBI:17153 |
| EC No. | 204-623-0 |
| DTXSID | DTXSID2021658 |
| 현지명 | 프로피온알데히드 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 17.2 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Other Classes -> AldehydesFlammable agents - 3rd degree |
| 화장품 | Cosmetics ingredient -> Fragrance |
| SpringerMaterials Properties | Coriolis coupling |
| 향료 | Fragrance Ingredient (Propionaldehyde) -> IFRA transparency List |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 0.59 |
| 냄새 | SUFFOCATING, FRUITYCHARACTERISTIC ODOR SIMILAR TO ACETALDEHYDEPungent, unpleasantChoking odor프로필렌 글리콜 중 0.10%. 흙, 알코올, 와인, 위스키, 코코아, 견과류 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.805 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8657 g/cu cm at 25 °CRelative density (water = 1): 0.80.800-0.8050.8657 @25 °C0.805 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.3167 cP at 26.7 °C |
| Color/Form | LiquidWater-white liquid |
| 녹는점 | -81 °C (lit.) |
| 끓는 점 | 46-50 °C (lit.) |
| 증기 밀도 | 2 (vs air) |
| 증기압 | 18.77 psi ( 55 °C) |
| 굴절률 | n20/D 1.362(lit.) |
| FEMA | 2923 | PROPIONALDEHYDE |
| 인화점 | −16 °F |
| 저장 조건 | Store at <= 20°C. |
| 용해도 | 클로로포름에 용해됨알코올 및 에테르와 섞임 |
| 물리적 상태 | 액체 |
| 비중 | 0.815 (20/4℃) |
| 색상 | 하얀색 |
| 향취 유형 | 미묘한 |
| 후각 역치 | 0.001ppm |
| 생물학적 소스 | synthetic |
| 폭발한계 | 2.3-21%(V) |
| 용해도 | 540g/L(20℃) |
| 비열 | Cp(gas): 1.39 J/(g·K), at 25℃ |
| JECFA Number | 83 |
| Merck | 14,7823 |
| BRN | 506010 |
| 헨리 상수 | 9.9×10-2 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| 유전율 | 18.9(17℃) |
| 안정성 | 안정적인. 가연성이 높습니다. 산화제, 강산, 강염기와 호환되지 않습니다. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 |
| InChIKey | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CC |
| LogP(분배 계수) | 0.59 at 25℃ |
| NIST | Propanal(123-38-6) |
| EPA | Propionaldehyde (123-38-6) |
화학적 성질
Propionaldehyde has a characteristic sharp and pungent odor similar to acetaldehyde.It undergoes reactions typical for the low molecular weight aldehydes, which, because of the terminal carbonyl group, are very reactive. Contamination or the exposure to elevated temperatures may induce a hazardous polymerization. Propionaldehyde is a colorless, flammable liquid with a suffocating fruity odor. It is used as Intermediate for the chemical industry, for example for the manufacture of pharmaceuticals, pesticides, perfumes and plastics.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: PropanalHazard Traits - Hepatotoxicity and Digestive System ToxicityNeurotoxicityPropanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanal 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: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13148Propanal: HSNO Approval: HSR001216 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 | Behavior in Fire: Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | Flammable Liquid.Dangerous fire hazard when exposed to heat or flame. |
| 건강 유해성 | Vapors will irritate nose and throat, and may cause nausea and vomiting. Liquid causes eye irritation. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | Propionaldehyde is used in the manufacture of plastics, in the synthesis of rubber chemicals, and as a disinfectant and preservative. Limited information is available on the health effects of propionaldehyde. No information is available on the acute (short-term), chronic (long-term), reproductive, developmental or carcinogenic effects of propionaldehyde in humans. Animal studies have reported that exposure to high levels of propionaldehyde, via inhalation, results in anesthesia and liver damage, and intraperitoneal exposure results in increased blood pressure. EPA has not classified propionaldehyde for carcinogenicity. |
용도
개요
Propionaldehyde is a volatile liquid substance which consists of one carbonyl group and its characteristic functional group. The main functional group is an aldehyde which classifies propionaldehyde in the carbonyls. The main trunk of this substance is a short aliphatic chain. The carbonyl group determines, to a large extent, its chemical properties and most importantly its nucleophilic property. Propionaldehyde is readily oxidized if in contact to oxygen and should therefore be stored under inert gases.
출처
Reported found in apple aroma and in the essential oils of camphor, Rosa centifolia, clary sage, Pinus excelsa and Pinus silverstris. Also reported found in over 100 natural products including apple, banana, sweet cherry, sour cherry, black currant grapes, melon, pineapple, strawberry, cabbage, carrot, celery, cucumber, garlic, onion, leek, potato, peas, rutabaga, tomato, Scotch spearmint oil, vinegar, bread and bread preferment, blue cheeses, cheddar cheese, Swiss cheese, butter, milk, cream, boiled egg, caviar, fatty fish, cooked turkey, beef, pork and chicken, beer, rum, cognac, whiskies, grape wines, coffee, cocoa, tea, roasted filberts and peanuts, peanut oil, potato chips, pecans, oats, honey, soybeans, Arctic bramble, beans, Bantu beer, plum brandy, cauliflower, Brussels sprouts, rice, prickly pear, peated malt, clary sage, truffle, krill, oysters, loganberry, Chinese quince and maté.
용도
Propionaldehyde is produced by the oxo reaction of ethylene with carbon monoxide and hydrogen. n-Propyl alcohol is produced by hydrogenation of propionaldehyde, and propionic acid is made by oxidation of propionaldehyde. n-Propyl alcohol is used as solvent in printing inks and as an intermediate in the preparation of agricultural chemicals. Propionic acid is used as a grain preservative as, for example, in preventing spoilage of wet corn used as animal feed. The use of propionic acid as a grain preservative is an alterna tive to drying by heating, which consumes fuel, and is considered mostly when fuel is expensive.
일반 설명
A clear colorless liquid with an overpowering fruity-like odor. Less dense than water. Flash point 15°F. Vapors are heavier than air.
제조 및 합성 방법
제조 방법
Propionaldehyde is prepared in the usual way by the oxidation of n-propyl alcohol. It can also be prepared by dehydrogenating the alcohol by passing the vapors over a heated copper or brass catalyst. This avoids the danger of further oxidation to propionic acid. The reactions of propionaldehyde are practically like those of acetaldehyde. It must be remembered that only the two alpha hydrogen atoms are active in replacement and condensation reactions.