Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-사이클로헥실페놀
2-사이클로헥실페놀 · Phenol, 2-cyclohexyl- · 2-cyclohexyl-pheno · O-CYCLOHEXYLPHENOL · 2-Cyclohexylphenol · Phenol, o-cyclohexyl- · 2-Cyclohexylphenol >2-HYDROXYPHENYLCYCLOHEXANE
식별자 및 물리적 특성
| CAS No. | 119-42-6 |
|---|---|
| 분자식 | C12H16O |
| 평균 분자량 | 176.25 g/mol |
| 단동위원소 질량 | 176.12011513 g/mol |
| SMILES | Oc1ccccc1C1CCCCC1 |
| InChIKey | MVRPPTGLVPEMPI-UHFFFAOYSA-N |
| PubChem CID | 8396 |
| ChEMBL | CHEMBL1812771 |
| EC No. | 204-322-4 |
| DTXSID | DTXSID2059487 |
| 현지명 | 2-사이클로헥실페놀 |
화학 및 물리적 성질
| XLogP | 4.1 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 149 |
| 물질 분류 | Other Classes -> Phenols |
| SpringerMaterials Properties | Dielectric constant |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| 녹는점 | 56°C |
| 끓는 점 | 284 °C |
| 밀도 | 0.9452 (rough estimate) |
| 굴절률 | 1.5415 (estimate) |
| 인화점 | 134℃ |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 10.41±0.30(Predicted) |
| 색상 | White to Light yellow to Light orange |
| 용해도 | 83.33mg/L(25℃) |
| InChI | InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2 |
| InChIKey | MVRPPTGLVPEMPI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC=C1C1CCCCC1 |
| EPA | Phenol, 2-cyclohexyl- (119-42-6) |
안전 및 규제
| GHS 분류 | DangerH314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-cyclohexyl-Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21008Phenol, 2-cyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 유해성 요약 | An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (66.7%) |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 3077 |
| 관세 코드 | 29071990 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39 |
| 기존화학 물질 | KE-09257 |
용도
용도
2-Cyclohexylphenol is a reagent used in the synthesis of thyroid hormone receptor β-agonists.