Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Acetyl-3,5-dimethylpyrazine
Ethanone, 1-(3,5-dimethylpyrazinyl)- · FEMA 3327 · 2-ACETYL-3,5(6)-DIMETHYLPYRAZINE · 1-(3,5-Dimethylpyrazin-2-yl)ethanone · 2-ACETYL-3,5(OR 6)-DIMETHYLPYRAZINE · FEMA NUMBER 3327 · Einecs 259-076-0 · 2-Acetyl-3,5-diMethy
식별자 및 물리적 특성
| CAS No. | 54300-08-2 |
|---|---|
| 분자식 | C8H10N2O |
| 평균 분자량 | 150.18 g/mol |
| 단동위원소 질량 | 150.07931294 g/mol |
| SMILES | CC(=O)c1ncc(C)nc1C |
| InChIKey | UCGOSAWBWFUKDT-UHFFFAOYSA-N |
| PubChem CID | 104721 |
| ChEBI | CHEBI:173403 |
| EC No. | 259-076-0 |
| DTXSID | DTXSID1068938 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 42.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 158 |
| 향미제 | EU Flavoring substances |
| 끓는 점 | 70.00 °C. @ 7.00 mm Hg70 °C7 mm Hg(lit.) |
| 밀도 | 1.073 g/mL at 25 °C(lit.) |
| 증기압 | 3 mm Hg ( 20 °C) |
| FEMA | 3327 | 2-ACETYL-3,5(AND 6)-DIMETHYLPYRAZINE |
| 굴절률 | n20/D 1.517(lit.) |
| 인화점 | 195 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 1.25±0.10(Predicted) |
| 색상 | Colorless to Light orange to Yellow |
| 냄새 | 프로필렌 글리콜 중 0.10%.구운 헤이즐넛 냄새 |
| 향취 유형 | 견과류 |
| JECFA Number | 786 |
| LogP(분배 계수) | 1.08 |
| NIST | Ethanone, 1-(3,5-dimethylpyrazinyl)-(54300-08-2) |
| EPA | Ethanone, 1-(3,5-dimethylpyrazinyl)- (54300-08-2) |
화학적 성질
It has an odor of roasted hazelnut with caramel popcorn nuances.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.3% (90 of 1421) of reports.WarningH302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1421 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Ethanone, 1-(3,5-dimethylpyrazinyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 1-(3,5-dimethylpyrazinyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (90.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2933998090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
용도
출처
Reported found in coffee
제조 및 합성 방법
제조 방법
From the corresponding dimethyl-ethylpyrazine by bromination, followed by oxidation to the ketone