벤질록시아세톤
벤질록시아세톤 · 1-(Benzyloxy)propan-2-one · Benzyloxyacetone · 3-benzyloxypropanone · Benzyloxyacetone 90% · 1-(Benzyloxy)acetone · 1-BENZYLOXY-2-PROPANONE · 1-(Benzyloxy)propane-2-one
식별자 및 물리적 특성
| CAS No. | 22539-93-1 |
|---|---|
| 분자식 | C10H12O2 |
| 평균 분자량 | 164.2 g/mol |
| 단동위원소 질량 | 164.08372962 g/mol |
| SMILES | CC(=O)COCc1ccccc1 |
| InChIKey | YHMRKVGUSQWDGZ-UHFFFAOYSA-N |
| PubChem CID | 3691284 |
| EC No. | 828-028-6 |
| DTXSID | DTXSID10395111 |
| 현지명 | 벤질록시아세톤 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 137 |
| SpringerMaterials Properties | Chemical shift |
| 끓는 점 | 259 °C (lit.) |
| 밀도 | 1.04 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.512(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| InChI | InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | YHMRKVGUSQWDGZ-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)C(=O)C |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Benzyloxyacetone (1-Benzyloxy-2-propanone) may be used in the synthesis of:7-benzyloxy-6-methyl-5-hepten-1-yne(Z)-2-methylhept-2-en-6-yn-1-o1(S)-(+)-1,2-propanediol, 1-benzyl etherIt may be used as a starting material in synthesizing (2S,4RS)-4-acetoxy-2-[(benzyloxy)methyl]-2-methyldioxolane and (2R,4RS)-4-acetoxy-2-[(benzyloxy)methyl]-2-methyldioxolane.
일반 설명
Benzyloxyacetone (α-Benzyloxyacetone) is an α-substituted acetone. It undergoes direct aldol reaction with 4-nitrobenzaldehyde in the presence of (S)-BINAM-L-prolinamide/benzoic acid to form predominantly the syn-diasteroisomer.