피페리딘
Cyclopentimine,헥사히드로피리딘 · 피페리딘 · Piperdine · PIP · Piperidin · HEXAHYDROPYRIDINE · PPR · FEMA 2908
식별자 및 물리적 특성
| CAS No. | 110-89-4 |
|---|---|
| 분자식 | C5H11N |
| 평균 분자량 | 85.15 g/mol |
| 단동위원소 질량 | 85.08914935 g/mol |
| SMILES | C1CCNCC1 |
| InChIKey | NQRYJNQNLNOLGT-UHFFFAOYSA-N |
| PubChem CID | 8082 |
| ChEMBL | CHEMBL15487 |
| ChEBI | CHEBI:18049 |
| EC No. | 203-813-0 |
| DTXSID | DTXSID6021165 |
| 현지명 | 피페리딘 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 30.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, CyclicFlammable agents - 3rd degree |
| pH | Strong base12.6 (100g/l, H2O, 20°C) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 향료 | Fragrance Ingredient (Piperidine) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 0.84 |
| 냄새 | AMINE-LIKE ODORHEAVY, SWEET, FLORAL, ANIMAL ODOROdor of pepper프로필렌 글리콜 중 1.00%. 강한 꽃향기 |
| 맛 | BURNING PEPPERY TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.8622 at 68 °F (EPA, 1998) - Less dense than waterwill float0.8622 at 20 °C/4 °CRelative density (water = 1): 0.860.858-0.8620.8622 @25 °C0.930 g/mL at 20 °C |
| 향미제 | EU Flavoring substances |
| Color/Form | CLEAR, COLORLESS LIQUID |
| 용해도 | Miscible (NTP, 1992)Miscible in ethanolsoluble in ethyl ether, acetone, benzene, chloroformMiscible in water1000 mg/mL at 20 °CSolubility in water: miscibleSoluble in water, ethermiscible in water and alcoholsoluble in ether, acetone, benzene and chloroform maximum allowable concentration: not establishedmore toxic, irritating and volatile than pyridine (Reinhardt and Brittelli 1981). |
| 녹는점 | -11 °C |
| 끓는 점 | 106 °C(lit.) |
| 증기 밀도 | 3 (vs air) |
| 증기압 | 23 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.452(lit.) |
| FEMA | 2908 | PIPERIDINE |
| 인화점 | 16 °C(lit.) |
| 저장 조건 | Store in dark! |
| 물리적 상태 | liquid |
| pKa(산도 계수) | 11.123(at 25℃) |
| 색상 | APHA: ≤50 |
| 폭발한계 | 1.5-10.3%(V) |
| 향취 유형 | 동물 |
| 생물학적 소스 | synthetic |
| 용해도 | 혼용 가능 |
| 비열 | Cp(liquid): 2.11 J/(g·K), at 25℃ |
| JECFA Number | 1607 |
| Merck | 14,7468 |
| BRN | 102438 |
| 헨리 상수 | 2.8×100 mol/(m3Pa) at 25℃, Bernauer and Dohnal (2009) |
| 유전율 | 5.9(20℃) |
| 안정성 | 안정적인. 가연성이 높습니다. 강한 산화제, 강산, 유기산, 물과 호환되지 않습니다. 증기는 표면을 따라 먼 발화원까지 흐를 수 있습니다. |
| InChI | 1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 |
| InChIKey | NQRYJNQNLNOLGT-UHFFFAOYSA-N |
| SMILES | C1CCNCC1 |
| LogP(분배 계수) | 0.61 |
| 표면장력 | 30.27mN/m at 293.15K |
| NIST | Piperidine(110-89-4) |
| EPA | Piperidine (110-89-4) |
화학적 성질
Piperidine is a clear, colorless liquid. Pepper, ammonia or amine odor.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, 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, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: PiperidineList I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)Regulation (EC) No 1831/2003 (amended)Piperidine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13488Piperidine: HSNO Approval: HSR001260 Approved with controls |
| 기타 안전 정보 | IMAP assessments - Piperidine: Human health tier II assessment |
| 운송 라벨(DOT) | Corrosive Flammable Liquid |
| 화재 위험 | Piperidine evolves explosive concentrations of vapor at normal room temperatures. When heated to decomposition, it emits highly toxic fumes of nitrogen oxides. Dangerous, when exposed to heat, flame, or oxidizers. Avoid 1-Perchlorylpiperidine and oxidizing materials. Piperidine is a reactive compound and forms complexes with the salts of heavy metals. It evolves explosive concentrations of vapor at normal room temperatures. Keep away from igniting sources and heat. (EPA, 1998)· Flammable/combustible material.Highly flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | This substance ... evolves explosive concentrations of vapor at normal room temperatures. |
용도
개요
암모니아와 비슷한 냄새를 가진 무색의 액체로 물 · 유기용매에 잘 녹는다.강한 염기성을 보이며, 여러 가지 산과 염을 생성한다.
용도
유기합성이나 의약의 원료로 사용된다.
출처
Piperidine occurs at low levels in a variety of food products (Neurath et al 1977), including baked ham (0.2 p.p.m.), milk (0.11 p.p.m.) coffee (1 p.p.m. dry) (Singer and Lijinsky 1976) and canned fish (Tanikawa and Motohiro 1960). It is also found in black pepper (Windholz 1983), hemp (Obata and Ishikawa 1960), hemlock (Cromwell 1956) and tobacco (Furia and Bellanca 1975). Piperidine is a natural constituent of skin (Sax and Lewis 1987), human urine (Von Euler 1944), brain (Honegger and Honegger 1960) and cerebrospinal fluid (Perry et al 1964). Humans excrete about 3-20 mg/d in the urine (Reinhardt and Britelli 1981).
용도
Piperidine is an organic heterocyclic amine widely used as building block and reagent in the synthesis of organic compounds including pharmaceuticals.
일반 설명
A clear colorless liquid with a pepper-like odor. Less dense than water, but miscible in water. Will float on water. Flash point 37°F. Melting point -15.8°F (-9°C). Boiling point 222.8°F (106°C). May severely irritate skin and eyes. May be toxic by ingestion and inhalation. Vapors heavier than air. Used to make rubber and as a solvent.
제조 및 합성 방법
생산 방법
Piperidine is usually prepared by the electrolytic reduction of pyridine. It may also be obtained by heating piperidine with alcoholic KOH or by the cyclization of 1,5-diaminopentane hydrochloride (Windholz 1983). U.S. production in 1983 was approximately 606,000 pounds (HSDB 1988). Commercial piperidine is supplied in two grades, 95 and 98 percent pure (Sax and Lewis 1987).
제조 방법
Usually prepared by electrolytic reduction of pyridine.