Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-이소프로필페닐아세트알데히드
4-이소프로필페닐아세트알데히드 · P-ISOPROPYL PHENYLACETALDEHYDE · CORTEXAL · CUMINICACETALDEHYDE · p-Cymene-7-carboxyaldehyde · ISOPROPYLPHENYLACETALDEHYDE · 4-Isopropylphenylacetaldehyd · 4-isopropylphenylacetaldehyde
식별자 및 물리적 특성
| CAS No. | 4395-92-0 |
|---|---|
| 분자식 | C11H14O |
| 평균 분자량 | 162.23 g/mol |
| SMILES | CC(C)c1ccc(CC=O)cc1 |
| InChIKey | FSKGFRBHGXIDSA-UHFFFAOYSA-N |
| PubChem CID | 61359 |
| ChEBI | CHEBI:197242 |
| EC No. | 224-522-5 |
| 현지명 | 4-이소프로필페닐아세트알데히드 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 132 |
| 향료 | Fragrance Ingredient (p-Isopropyl phenylacetaldehyde) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.965-0.9750.9411 (rough estimate) |
| 향미제 | EU Flavoring substances |
| 용해도 | very slightlyInsoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
| 끓는 점 | 230.00 to 243.00 °C. @ 760.00 mm Hg230-243 °C248.94°C (rough estimate) |
| 굴절률 | 1.515-1.5251.5400 (estimate) |
| Physical Description | Colourless liquidpowerful, green, refreshingly bark-woody or saplike odour |
| FEMA | 2954 | P-ISOPROPYL PHENYLACETALDEHYDE |
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 물리적 상태 | solid |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 소박한 고사리 알데히드 커민 녹색 피질 |
| 향취 유형 | 녹색 |
| JECFA Number | 1024 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | FSKGFRBHGXIDSA-UHFFFAOYSA-N |
| SMILES | [H]C(CC1=CC=C(C(C)C)C=C1)=O |
| LogP(분배 계수) | 3.12 |
| EPA | Benzeneacetaldehyde, 4-(1-methylethyl)- (4395-92-0) |
화학적 성질
p-Isopropylphenylacetaldehyde has a characteristic bark odor and a citrus, bittersweet, fruity flavor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (234 of 234) of all reports.Not ClassifiedAggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzeneacetaldehyde, 4-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzeneacetaldehyde, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzeneacetaldehyde, 4-(1-methylethyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | WGK 2 |
| TSCA 등재 상태 | TSCA listed |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
p-Isopropylphenylacetaldehyde has a characteristic bark odor and a citrus, bittersweet, fruity flavor. May be synthesized from cumyl magnesium chloride and ethyl formate or triethyl s-formate followed by acid hydrolysis of the acetal.
제조 및 합성 방법
제조 방법
From cumyl magnesium chloride and ethyl formate or triethyl σ-formate followed by acid hydrolysis of the acetal.