푸르푸랄
푸르푸랄 · 2-푸란알데히드 · 2-푸릴-메탄알 · 2-푸릴알데히드 · 아티피샬안트오일 · 푸랄 · 푸르푸르롤 · 푸르푸르알데히드
식별자 및 물리적 특성
| CAS No. | 98-01-1 |
|---|---|
| 분자식 | C5H4O2 |
| 평균 분자량 | 96.08 g/mol |
| 단동위원소 질량 | 96.02112937 g/mol |
| SMILES | O=Cc1ccco1 |
| InChIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| PubChem CID | 7362 |
| ChEMBL | CHEMBL189362 |
| ChEBI | CHEBI:34768 |
| EC No. | 202-627-7 |
| DTXSID | DTXSID1020647 |
| 현지명 | 푸르푸랄 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 30.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 70.5 |
| 물질 분류 | Other Classes -> AldehydesFlammable agents - 2nd degree |
| 화장품 | Solvent |
| SpringerMaterials Properties | Schoenflies notation |
| 향료 | Fragrance Ingredient (Furfural) -> IFRA transparency List |
| 농약 | Pesticide -> EPA IRISAgrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approved |
| LogP(분배 계수) | log Kow= 0.410.46 |
| 냄새 | Peculiar odor, somewhat resembling the odor of benzaldehyde... Almond-like odor ...디프로필렌 글리콜 중 1.00%. 달콤한 우디 아몬드 향기로운 구운 빵 |
| 맛 | Distinct caramel taste |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.159 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1594 g/cu cm at 20 °CRelative density (water = 1): 1.161.153-1.1621.1594 @ 20°C1.16 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 1.587 mPa-s at 25 °C1.28 mm²/s at 25 °C |
| 녹는점 | -36 °C (lit.) |
| 끓는 점 | 162 °C (lit.) |
| 증기 밀도 | 3.31 (vs air) |
| 증기압 | 13.5 mm Hg ( 55 °C) |
| 굴절률 | n20/D 1.527 |
| FEMA | 2489 | FURFURAL |
| 인화점 | 137 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 95% 에탄올: 용해성1ML/mL, 투명 |
| 물리적 상태 | 액체 |
| 색상 | 아주 짙은 갈색 |
| pH | >=3.0 (50g/l, 25℃) |
| 향취 유형 | 빵 같은 |
| 생물학적 소스 | synthetic |
| 폭발한계 | 2.1-19.3%(V) |
| 용해도 | 8.3g/100mL |
| 비열 | Cp(liquid): 1.7 J/(g·K), at 25℃ |
| Merck | 14,4304 |
| JECFA Number | 450 |
| BRN | 105755 |
| 헨리 상수 | 1.52(x 10-6 atmm3/mol) at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| 유전율 | 41.9(20℃) |
| 안정성 | 안정적인. 피해야 할 물질로는 강염기, 강산화제, 강산 등이 있습니다. 가연성. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향기용제 |
| InChI | 1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| InChIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccco1 |
| LogP(분배 계수) | 0.41 |
| 표면장력 | 43.61mN/m at 293.15K |
| NIST | 2-Furancarboxaldehyde(98-01-1) |
| EPA | Furfural (98-01-1) |
화학적 성질
Furfural is a colorless to yellow aromatic het erocyclic aldehyde with an almond-like odor. Turns amber on exposure to light and air.
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 2-FurancarboxaldehydeRegulation (EC) No 1831/2003 (amended)2-Furancarboxaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxaldehyde 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)Furfural is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076Status: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14883 |
| 기타 안전 정보 | IMAP assessments - 2-Furancarboxaldehyde: Human health tier II assessment |
| 운송 라벨(DOT) | Poison Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Irritating vapors are generated when heated (USCG, 1999)· Combustible material: may burn but does not ignite readily.Flammable. Above 60 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Flammability of furfural is comparable to that of kerosene or No 1 fuel oil.Combustible liquid |
| 건강 유해성 | Vapor may irritate eyes and respiratory system. Liquid irritates skin and may cause dermatitis. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 유해성 요약 | Liquid causes first degree burns on short exposure. [CHRIS] At concentrations of 1.9 to 14 ppm, vapor can cause weeping of the eyes. [HSDB] TLV Basis is upper respiratory tract irritation and eye irritation |
용도
개요
Furfural is a colourless to amber-like oily liquid with an almond-like odour. On exposure to light and air, it turns reddish brown. Furfural is used in making chemicals, as a solvent in petroleum refining, a fungicide, and a weed killer. It is incompatible with strong acids, oxidisers, and strong alkalis. It undergoes polymerisation on contact with strong acids or strong alkalis. Furfural is produced commercially by the acid hydrolysis of pentosan polysaccharides from non-food residues of food crops and wood wastes. It is used widely as a solvent in petroleum refining, in the production of phenolic resins, and in a variety of other applications. Human exposure to furfural occurs during its production and use, as a result of its natural occurrence in many foods and from the combustion of coal and wood.
출처
Reported found in several essential oils from plants of the Pinaceae family, in the essential oil from Cajenne linaloe, in the oil from leaves of Trifolium pratense and Trifolium incarnatum, in the distillation waters of several essential oils, such as ambrettee and angelica seeds, in Ceylon cinnamon essential oil, in petitgrain oil, ylang-ylang, lavender, lemongrass, calamus, eucalyptus, neroli, sandalwood, tobacco leaves and others Also reported found in many foods including apple, apricot, citrus peel oils and juices, berries, guava, grapes, pineapple, asparagus, kohlrabi, celery, onion, leek, potato, tomato, cinnamon, mustard, bread, cheeses, meats, fsh, cognac, rum, whiskies, cider, grape wine, cocoa, coffee, tea, barley, peanuts, popcorn, pecans, oats, honey, soybeans, passion fruit, plums, mushroom, mango, tamarind, fruit brandies, whiskey malt, white bread, rum, bourbon, cardamom, coriander seed, calamus, corn oil, malt, wort and other sources
용도
In the manufacture of furfural-phenol plastics such as Durite; in solvent refining of petroleum oils; in the preparation of pyromucic acid. As a solvent for nitrated cotton, cellulose acetate, and gums; in the manufacture of varnishes; for accelerating vulcanization; as insecticide, fungicide, germicide; as reagent in analytical chemistry. In the synthesis of furan derivatives.
일반 설명
Colorless or reddish-brown mobile liquids with a penetrating odor. Flash points 140°F. Denser than water and soluble in water. Vapors heavier than air. May be toxic by ingestion, skin absorption or inhalation.
제조 및 합성 방법
생산 방법
Furfural is obtained commercially by treating pentosan-rich agricultural residues (corncobs, oat hulls, cottonseed hulls, bagasse, rice hulls) with a dilute acid and removing the furfural by steam distillation. Major industrial uses of furfuraldehyde include: (1) the production of furans and tetrahydrofurans where the compound is an intermediate; (2) the solvent refining of petroleum and rosin products; (3) the solvent binding of bonded phenolic products; and (4) the extractive distillation of butadiene from other C4 hydrocarbons. When pentoses, e.g., arabinose, xylose, are heated with dilute HCl, furfuraldehyde is formed, recognizable by deep red coloration with phloroglucinol, or by the formation, with phenylhydrazine, of furfuraldehyde phenylhydrazone C4H3O·CH : NNHC6H5, solid, mp 97 °C.
제조 방법
Industrially prepared from pentosans that are contained in cereal straws and brans; these materials are previously digested with diluted H2SO4, and the formed furfural steam is distilled.