Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-(Diethoxymethyl)-1,3-benzodioxole
Nsc20028 · PIPERONAL DIETHYL ACETAL · Heliotropine dierhylacetal · HELOITROPIN DIETHYL ACETAL · Heliotropin diethyl acetal · heliotropyl diethyl acetal · Heliotropine diethyl acetal · 5-diethoxymethyl-1,3-benzodioxole
식별자 및 물리적 특성
| CAS No. | 40527-42-2 |
|---|---|
| 분자식 | C12H16O4 |
| 평균 분자량 | 224.25 g/mol |
| 단동위원소 질량 | 224.10485899 g/mol |
| SMILES | CCOC(OCC)c1ccc2c(c1)OCO2 |
| InChIKey | YDQLGNDCYHZHEE-UHFFFAOYSA-N |
| PubChem CID | 95136 |
| EC No. | 254-956-0 |
| DTXSID | DTXSID5068233 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 36.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 203 |
| 향료 | Fragrance Ingredient (1,3-Benzodioxole, 5-(diethoxymethyl)-) -> IFRA transparency List |
| 끓는 점 | 285.65°C (rough estimate) |
| 밀도 | 1.0435 (rough estimate) |
| 증기압 | 0.243-9.17Pa at 20-60℃ |
| 굴절률 | 1.4560 (estimate) |
| 물리적 상태 | 액체 |
| 색상 | Needlelike crystals, white or colorless |
| 냄새 | 100.00%에서. 부드러운 꽃 달콤한 매운 초원 달콤한 |
| 향취 유형 | 꽃향기 |
| LogP(분배 계수) | 2.14 at 20℃ and pH7 |
| EPA | 1,3-Benzodioxole, 5-(diethoxymethyl)- (40527-42-2) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 87% (80 of 92) of all reports.WarningH302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,3-Benzodioxole, 5-(diethoxymethyl)-REACH registered substance: 5-diethoxymethyl-1,3-benzodioxole (EC: 254-956-0)1,3-Benzodioxole, 5-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (13%) |
| TSCA 등재 상태 | TSCA listed |
용도
용도
Glucose-penta-acetate is used as a bitter principle in food products, mainly spice blends, condiments, alcoholic beverages, etc. The concentration used is equivalent to about 100 to 1500 ppm in the finished consumer product.