2,6-Dimethylpyrazine
Pyrazine, 2,6-dimethyl- · 2,6-Dimethylpiazine · FEMA 3273 · FEMA NUMBER 3273 · 6-DiMethylpyrazine · 3,5-Dimethylpyrazine · 2,6-DIMETHYLPYRAZINE · 2,6-dimethyl-pyrazin
식별자 및 물리적 특성
| CAS No. | 108-50-9 |
|---|---|
| 분자식 | C6H8N2 |
| 평균 분자량 | 108.14 g/mol |
| 단동위원소 질량 | 108.06874826 g/mol |
| SMILES | Cc1cncc(C)n1 |
| InChIKey | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
| PubChem CID | 7938 |
| ChEBI | CHEBI:89791 |
| EC No. | 203-589-4 |
| DTXSID | DTXSID5047619 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 64.9 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 향료 | Fragrance Ingredient (2,6-Dimethylpyrazine) -> IFRA transparency List |
| LogP(분배 계수) | 0.54 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in water, organic solventsvery soluble (in ethanol)에 용해됨클로로포름, 메탄올 (약간 용해됨) |
| 끓는 점 | 154.00 to 155.00 °C. @ 760.00 mm Hg154 °C154 °C(lit.) |
| 녹는점 | 47 - 48 °C35-40 °C(lit.) |
| Physical Description | Solidwhite to yellow lumpy crystals with a nutty, coffee-like odour |
| 밀도 | 0.965(50.0000℃) |
| FEMA | 3273 | 2,6-DIMETHYLPYRAZINE |
| 굴절률 | 1.5000 |
| 인화점 | 127 °F |
| 저장 조건 | -20°C |
| pKa(산도 계수) | 2.49±0.10(Predicted) |
| 물리적 상태 | 저융점 결정성 고체 |
| 색상 | 옅은 노랑 |
| pH | 7 (H2O, 20℃) |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 미묘한 코코아 열매가 많은 구운 고기가 풍부한 갈색 커피 버터밀크 |
| 향취 유형 | 초콜릿 |
| 생물학적 소스 | synthetic |
| 용해도 | 물에 용해됩니다. |
| JECFA Number | 767 |
| BRN | 1726 |
| 헨리 상수 | 9.8×10-1 mol/(m3Pa) at 25℃, Chaintreau et al. (1995) |
| 유전율 | 2.6499999999999999 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3 |
| InChIKey | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
| SMILES | Cc1cncc(C)n1 |
| LogP(분배 계수) | 0.64 |
| NIST | Pyrazine, 2,6-dimethyl-(108-50-9) |
| EPA | Pyrazine, 2,6-dimethyl- (108-50-9) |
화학적 성질
2,6-Dimethylpyrazine has a nutty, coffee-like odor.
안전 및 규제
| GHS 분류 | WarningH226 (94.7%): 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 1686 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Pyrazine, 2,6-dimethyl-Regulation (EC) No 1831/2003 (amended)2,6-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (94.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UQ2975000 |
| 운송 번호(UN) | UN 1325 4.1/PG 2 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 10-22-37/38-41-11 |
| 위험 표시 | Xn,F |
| 안전 문구(S) | 16-26-39 |
| 포장분류 | III |
| 위험 등급 | 4.1Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 4.1B - Flammable solid hazardous materials |
용도
출처
Reported found in cocoa products, coffee, diary products, peanuts, pecans, filberts, potato products, rum, whiskey, soy products, tomato puree, baked potato, cooked beef and chicken, mushroom, roasted barley, roasted pecan, tea, and Virginia tobacco; reported found in grilled beef; also a volatile flavor component of potato chips. Also reported found in cheeses, tamarind, coriander seed and corn tortilla
용도
2,6-Dimethylpyrazine is used Preparation of chocolate, coffee, meat and nuts and other flavors
제조 및 합성 방법
제조 방법
By condensation of 1,2-diaminopropane, followed by column chromatography to separate the 2,6-methylpyrazine from the 2,5-dimethylpyrazine.