Pyrazine
Pyrazin · PyBO · Piazine · FEMA 4015 · Paradiazine · 1,4-Pyrazine · PYRAZINE · p-Diazine
식별자 및 물리적 특성
| CAS No. | 290-37-9 |
|---|---|
| 분자식 | C4H4N2 |
| 평균 분자량 | 80.09 g/mol |
| 단동위원소 질량 | 80.03744813 g/mol |
| SMILES | c1cnccn1 |
| InChIKey | KYQCOXFCLRTKLS-UHFFFAOYSA-N |
| PubChem CID | 9261 |
| ChEMBL | CHEMBL15797 |
| ChEBI | CHEBI:30953 |
| EC No. | 206-027-6 |
| DTXSID | DTXSID8049410 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 26.5 |
| 물질 분류 | Nitrogen Compounds -> Pyrazines |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | -0.26-0.05 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | freely soluble in water, organic solventsvery soluble (in ethanol)쉽게 용해됨 |
| 끓는 점 | 115.00 to 116.00 °C. @ 760.00 mm Hg115-118 °C115-116 °C (lit.) |
| 녹는점 | 54 - 56 °C50-56 °C (lit.) |
| Physical Description | Solid with a strong odor like pyridine[Merck Index] White crystalline solid with a strong odor[Alfa Aesar MSDS]deliquescent crystals or wax-like solid with a pungent, sweet, corn-like, nutty odour |
| Ionization Efficiency | Positive0.172.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| 밀도 | 1.031 g/mL at 25 °C (lit.) |
| 굴절률 | 1.5235 |
| FEMA | 4015 | PYRAZINE |
| 인화점 | 132 °F |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 0.65(at 27℃) |
| 물리적 상태 | 크리스탈 |
| 색상 | 하얀색 |
| 비중 | 1.031 |
| 냄새 | 프로필렌 글리콜 중 0.10%. 구운 헤이즐넛 보리처럼 매운 옥수수 |
| 향취 유형 | 견과류 |
| 생물학적 소스 | synthetic |
| 용해도 | 녹는 |
| Merck | 14,7957 |
| JECFA Number | 951 |
| BRN | 103905 |
| 유전율 | 2.7999999999999998 |
| 안정성 | 안정적인. 가연성이 높습니다. 산, 산화제와 호환되지 않습니다. |
| InChI | 1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H |
| InChIKey | KYQCOXFCLRTKLS-UHFFFAOYSA-N |
| SMILES | c1cnccn1 |
| LogP(분배 계수) | -0.26 |
| NIST | Pyrazine(290-37-9) |
| EPA | Pyrazine (290-37-9) |
화학적 성질
Pyrazine has a strong pyridine-like odor. Some reports compare the taste of pyrazine to cooked spinach or rancid peanuts
안전 및 규제
| GHS 분류 | DangerH225 (47.9%): 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)Aggregated GHS information provided per 165 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: PyrazineCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Intraperitoneal LD50 (mouse) = 2,730 mg/kg[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (47.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UQ2015000 |
| 운송 번호(UN) | UN 1325 4.1/PG 2 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 36/37/38-11 |
| 위험 표시 | Xi,F |
| 안전 문구(S) | 26-36-16 |
| 포장분류 | III |
| 위험 등급 | 4.1Flam. Sol. 1 |
| 저장 분류 | 4.1B - Flammable solid hazardous materials |
용도
출처
Pyrazine has been detected in several food products including papayas, asparagus, peanuts, popcorn, soybeans, corn, French fries, bread, cheese, milk, eggs (boiled), chicken (fried), beef (cooked), shrimp, clams, beer, sherry, malt, coffee and tea (green).
용도
Pyrazine is used as a flavoring agent. It serves as a component of some herbs in traditional Chinese medicine. It is employed as pharmaceutical intermediates, perfume intermediates and involved in the preparation of other chemicals. In addition to this, it is used in the production of pyrazine 1-oxide.
일반 설명
Pyrazine is a 1,4-diazine and an electron-deficient N-heteroarene found in several natural products, APIs, agrochemicals, and functional materials.
제조 및 합성 방법
제조 방법
Prepared by cyclization of α-amino ketones, which were produced by the reduction of isonitroso ketones to yield the dihydropyrazines, which are dehydrogenated with mercury(I) oxide or copper(II) sulfate or sometimes with atmospheric oxygen.