벤질아세톤
벤질아세톤 · 4-페닐-2-부타논(CASNo.2550-26-7) · 4-Phenylbutan-2-one · 4-PHENYL-2-BUTANONE · 2-Butanone, 4-phenyl- · Benzylaceton · 4-phenylbutanone · 4-phenyl-2-butanon
식별자 및 물리적 특성
| CAS No. | 2550-26-7 |
|---|---|
| 분자식 | C10H12O |
| 평균 분자량 | 148.2 g/mol |
| 단동위원소 질량 | 148.088815 g/mol |
| SMILES | CC(=O)CCc1ccccc1 |
| InChIKey | AKGGYBADQZYZPD-UHFFFAOYSA-N |
| PubChem CID | 17355 |
| ChEMBL | CHEMBL1490851 |
| ChEBI | CHEBI:195507 |
| EC No. | 219-847-4 |
| DTXSID | DTXSID6033241 |
| 현지명 | 벤질아세톤 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 123 |
| 물질 분류 | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Benzyl acetone) -> IFRA transparency List |
| 향미제 | EU Flavoring substances |
| Physical Description | Dry PowderLiquidClear colorless liquid[Aldrich MSDS] |
| 녹는점 | -13°C |
| 끓는 점 | 235 °C(lit.) |
| 밀도 | 0.989 g/mL at 25 °C(lit.) |
| 증기압 | 0.0386 hPa (20 °C) |
| 굴절률 | n20/D 1.512(lit.) |
| 인화점 | 209 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름, 메탄올에 용해됨 |
| 물리적 상태 | 액체 |
| 색상 | 무색~담황색 투명 |
| 냄새 | 100.00%에서. 꽃 발삼 |
| 향취 유형 | 꽃향기 |
| 용해도 | 실질적으로 불용성 |
| BRN | 1907123 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | AKGGYBADQZYZPD-UHFFFAOYSA-N |
| SMILES | CC(=O)CCc1ccccc1 |
| LogP(분배 계수) | 2 at 25℃ |
| NIST | 4-Phenyl-2-butanone(2550-26-7) |
| EPA | 2-Butanone, 4-phenyl- (2550-26-7) |
화학적 성질
has been identified as a volatile component of cocoa. Benzylacetone is a sweet-floral-smelling liquid, which can be prepared by selective hydrogenation of benzylidene acetone (from benzaldehyde and acetone). It is used in soap perfumes.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97% (1571 of 1619) of all reports.Not ClassifiedAggregated GHS information provided per 1619 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-Butanone, 4-phenyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Butanone, 4-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanone, 4-phenyl- 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)Status: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12477Benzylacetone: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A severe skin irritant[RTECS] Can cause severe irritation or burns to skin[Aldrich MSDS] |
| Hazard Classes and Categories | Not Classified |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EL9600000 |
| 독성 | LD50 orally in Rabbit: 3200 mg/kg |
| 관세 코드 | 29143900 |
| 위험 문구(R) | 38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37-24/25 |
| 기존화학 물질 | 2012-3-5426 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.
일반 설명
4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.
제조 및 합성 방법
제조 방법
Benzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.