1-비닐사이클로헥산올97
1-비닐사이클로헥산올97 · Cyclohexanol, 1-ethenyl- · 1-vinylcyclohexan-1-ol · 1-vinyl-cyclohexano · 1-ethenyl-cyclohexanol · 1-Vinyl-1-cyclohexanol · 1-Vinylcyclohexanol 97 · 1-Vinylcyclohexanol ,50%
식별자 및 물리적 특성
| CAS No. | 1940-19-8 |
|---|---|
| 분자식 | C8H14O |
| 평균 분자량 | 126.2 g/mol |
| 단동위원소 질량 | 126.10446507 g/mol |
| SMILES | C=CC1(O)CCCCC1 |
| InChIKey | ZXKHOVDDJMJXQP-UHFFFAOYSA-N |
| PubChem CID | 74741 |
| EC No. | 217-718-7 |
| DTXSID | DTXSID30173019 |
| 현지명 | 1-비닐사이클로헥산올97 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 101 |
| 녹는점 | 4 °C |
| 끓는 점 | 74 °C19 mm Hg(lit.) |
| 밀도 | 0.942 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.478(lit.) |
| 인화점 | 158 °F |
| pKa(산도 계수) | 14.56±0.20(Predicted) |
| InChI | 1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2 |
| InChIKey | ZXKHOVDDJMJXQP-UHFFFAOYSA-N |
| SMILES | OC1(CCCCC1)C=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 40 reports by companies from 3 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 |
| RTECS 번호 | GW0890000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-35354 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Vinyl cyclohexanol may be used to synthesize:1-vinyl-1-cyclohexene1-vinyl-1-cyclohexylacrylatecyclohexylideneacetaldehyde
일반 설명
1-Vinyl cyclohexanol, also known as 1-vinyl-1-cyclohexanol, is a tertiary allylic alcohol. It can be synthesized from cyclohexanone and vinyl chloride. It can undergo transition-metal-free tandem allylic borylation in the presence of B2pin [bis(pinacolato)diboron], Cs2CO3, THF and MeOH to yield triborated product. Pd-fullerite catalysts have been prepared which effectively catalyzes the hydrogenation of 1-ethynyl-1-cyclohexanol to 1-vinyl-1-cyclohexanol.