Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
β-메틸-3-(1-메틸에틸)벤젠프로파날 (CAS NO. 125109-85-5)
β-메틸-3-(1-메틸에틸)벤젠프로파날(CASNO.125109-85-5) · 아이소프로필페닐부탄알 · 이소프로필페닐부탄알 · Florhydral · Florhydra · floral butanal · 3-(3-propan-2-ylphenyl)butanal · FlorhydralR
식별자 및 물리적 특성
| CAS No. | 125109-85-5 |
|---|---|
| 분자식 | C13H18O |
| 평균 분자량 | 190.28 g/mol |
| 단동위원소 질량 | 190.13576519 g/mol |
| SMILES | CC(C)c1cccc(C(C)CC=O)c1 |
| InChIKey | OHRBQTOZYGEWCJ-UHFFFAOYSA-N |
| PubChem CID | 86209 |
| EC No. | 412-050-4 |
| DTXSID | DTXSID7051632 |
| 현지명 | β-메틸-3-(1-메틸에틸)벤젠프로파날 (CAS NO. 125109-85-5) |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 174 |
| Physical Description | Liquid |
| 끓는 점 | 251.3±9.0 °C(Predicted) |
| 밀도 | 0.935±0.06 g/cm3(Predicted) |
| 증기압 | 0.65Pa at 20℃ |
| 저장 조건 | Hygroscopic, Refrigerator, under inert atmosphere |
| 냄새 | 100.00%에서. 꽃 무늬의 녹색 머게 린든 꽃 은방울꽃 신선한 |
| 향취 유형 | 꽃향기 |
| 용해도 | 40mg/L at 20℃ |
| 헨리 상수 | 4.9×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022) |
| 화장품 원료 기능 | 향수향기 |
| LogP(분배 계수) | 3.1 at 35℃ |
| EPA | Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- (125109-85-5) |
화학적 성질
ISOPROPYLPHENYLBUTANAL is a clear colorless to pale yellow liquid with a powerful fresh, green, floral, lily-of-the-valley-like odor. It is recommended for use in all areas of perfumery. The preparation is effected by hydroformylation of 1,3-diisopropenylbenzene and subsequent hydrogenation.
안전 및 규제
| GHS 분류 | H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
|---|---|
| 규제 정보 | Chemical: Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 31-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30111Status: No longer Valid Update: 10-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6040Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9059β-Methyl-3-(1-methylethyl)benzenepropanal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Aquatic Chronic 2 (100%)Skin Irrit. 2 (32.5%)Aquatic Chronic 2 (67.5%)Hazardous to the aquatic environment (chronic) - category 2Aquatic Chronic 2 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 51/53 |
| 위험 표시 | N |
| 안전 문구(S) | 61 |
| 기존화학 물질 | 2010-3-4251 |