에틸피라진(2-)
에틸피라진 · 에틸피라진(2-) · 2-ETHYLPYRAZINE · Pyrazine, ethyl- · FEMA 3281 · ethyl-pyrazin · ETHYLPYRAZINE · FEMA NUMBER 3281
식별자 및 물리적 특성
| CAS No. | 1392-50-3 |
|---|---|
| 분자식 | C6H8N2 |
| 평균 분자량 | 108.14 g/mol |
| 단동위원소 질량 | 108.06874826 g/mol |
| SMILES | CCc1cnccn1 |
| InChIKey | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| PubChem CID | 26331 |
| ChEMBL | CHEMBL97525 |
| ChEBI | CHEBI:73232 |
| EC No. | 237-691-5 |
| DTXSID | DTXSID2065676 |
| 현지명 | 에틸피라진(2-) |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 63.5 |
| 물질 분류 | Nitrogen Compounds -> Pyrazines |
| 향료 | Fragrance Ingredient (2-Ethylpyrazine) -> IFRA transparency List |
| LogP(분배 계수) | 0.690.79 |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.981-1.0000.984 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in water, organic solvents, oilsmiscible at room temperature (in ethanol)자유롭게 용해되는 |
| 끓는 점 | 152.00 to 153.00 °C. @ 760.00 mm Hg152 °C152-153 °C (lit.) |
| 증기압 | 1.67 [mmHg] |
| 굴절률 | 1.493-1.508n20/D 1.498(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a musty, nutty, peanut butter odour |
| 녹는점 | 155 °C |
| FEMA | 3281 | 2-ETHYLPYRAZINE |
| 인화점 | 109 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | Liquid |
| pKa(산도 계수) | 1.62±0.10(Predicted) |
| 색상 | Colorless to Light yellow to Light orange |
| 비중 | 0.984 |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 땅콩 버터 머스티 너트 우디 로스트 코코아 |
| 향취 유형 | 견과류 |
| 생물학적 소스 | synthetic |
| 용해도 | 자유롭게 용해되는 |
| JECFA Number | 762 |
| BRN | 108200 |
| 헨리 상수 | 4.0×100 mol/(m3Pa) at 25℃, Buttery et al. (1971) |
| InChI | 1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3 |
| InChIKey | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| SMILES | CCc1cnccn1 |
| LogP(분배 계수) | 0.69 |
| NIST | Pyrazine, ethyl-(13925-00-3) |
| EPA | Pyrazine, ethyl- (13925-00-3) |
화학적 성질
2-Ethylpyrazine has a peanut butter, musty, nutty, woody, peanut buttery odor.
안전 및 규제
| GHS 분류 | WarningH226 (14.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1503 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Pyrazine, ethyl-Regulation (EC) No 1831/2003 (amended)2-Ethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | 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. 3 (14.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UQ3330000 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 10-41-37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 16-39-26 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 4 OralFlam. Liq. 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
출처
Reported found in bakery products, cocoa products, coffee, meat, peanuts, filberts, potato products, beer, whiskey, tea, soybeans, rice, roasted coconut, corn tortillas, shrimp, crayfish, asparagus, boiled beef, malt whiskey, and malt
용도
Ethylpyrazine is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.
일반 설명
2-Ethylpyrazine is a volatile aroma compound that is mainly formed in food products such as roasted coffee beans or roasted sesame seeds due to the Maillard reaction between sugars and proteins during the roasting process.
제조 및 합성 방법
제조 방법
By alkylation of methylpyrazine with methyliodide.