alpha-Vinylbenzyl alcohol
AURORA KA-7349 · Vinylbenzyl alcohol · α-Vinylbenzyl alcohol · ALPHA-VINYLBENZYL ALCOHOL · alpha-Vinylbenzyl alcohol 97% · Fluoxetine intermediate FXT-2a · VINYLBENZYL ALCOHOL ISO 9001：2015 REACH
식별자 및 물리적 특성
| CAS No. | 42273-76-7 |
|---|---|
| 분자식 | C9H10O |
| 평균 분자량 | 134.17 g/mol |
| 단동위원소 질량 | 134.07316494 g/mol |
| SMILES | C=CC(O)c1ccccc1 |
| InChIKey | MHHJQVRGRPHIMR-UHFFFAOYSA-N |
| PubChem CID | 92986 |
| EC No. | 628-880-7 |
| DTXSID | DTXSID901346753 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| 끓는 점 | 101-102 °C/12 mmHg (lit.) |
| 밀도 | 1.021 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.54(lit.) |
| 인화점 | 202 °F |
| 물리적 상태 | liquid |
| InChI | 1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2 |
| InChIKey | MHHJQVRGRPHIMR-UHFFFAOYSA-N |
| SMILES | OC(C=C)c1ccccc1 |
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 39 reports by companies from 2 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 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
α-Vinylbenzyl alcohol may be used in the synthesis of cinnamyl ethers by reacting with alcohols.
일반 설명
α-Vinylbenzyl alcohol is an allyl alcohol derivative. Its isomerization reaction using a novel ternary catalyst system has been reported. The kinetic resolution of racemic α-vinylbenzyl alcohol by tungsten-catalyzed asymmetric epoxidation method has been repoorted. The coupling reaction of α-vinylbenzyl alcohol and aldehydes in the presence of RuCl2(PPh3)3 catalyst and In(OAc)3 as a co-catalyst in ionic liquids has been investigated. Etherification reaction of glycerol with α-vinylbenzyl alcohol in the presence of sulfonic catalyst immobilized on silica (SiO2–SO3H) has been reported.