Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-METHYL-3-(PARA-METHOXYPHENYL)-프로파날
2-METHYL-3-(PARA-METHOXYPHENYL)-프로파날 · CANTHOXAL · Fennaldehyde · Canthoxa · PARAXONAL · 2-Anisylpropional · Paraxonal/Canthoxal · 2-(p-Anisyl)propanal
식별자 및 물리적 특성
| CAS No. | 5462-06-6 |
|---|---|
| 분자식 | C11H14O2 |
| 평균 분자량 | 178.23 g/mol |
| 단동위원소 질량 | 178.09937969 g/mol |
| SMILES | COc1ccc(CC(C)C=O)cc1 |
| InChIKey | VLFBSPUPYFTTNF-UHFFFAOYSA-N |
| PubChem CID | 64813 |
| EC No. | 226-749-5 |
| DTXSID | DTXSID6044567 |
| 현지명 | 2-METHYL-3-(PARA-METHOXYPHENYL)-프로파날 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 148 |
| 끓는 점 | 270.46°C (rough estimate) |
| 밀도 | 1.0292 (rough estimate) |
| 증기압 | 0.3Pa at 24℃ |
| 굴절률 | 1.5103 (estimate) |
| 냄새 | 100.00%에서. 달콤한 아니스 바질 회향 라즈베리 그린 |
| 향취 유형 | 회향풀 |
| 용해도 | 1.086g/L at 24℃ |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 2.3 at 25℃ |
| EPA | Benzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6) |
화학적 성질
2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANA is a pale yellow liquid with licorice, anise note with slight fruity modification. It can be prepared by condensation of anisaldehyde with propanal and selective hydrogenation of the resulting 2-methyl-3-(4-methoxyphenyl)-2-propenal. It fits well with floral notes and is used in fine fragrances and cosmetics.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.WarningH317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.There are 6 notifications provided by 1745 of 1748 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/194983-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1 (99.8%)Eye Irrit. 2 (73.8%)Aquatic Chronic 3 (87.9%) |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | 2006-3-3494 |