Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
BPTMC · 1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCYCLOHEXANE · BISP-TMC · Bisphenol TMC · Bisphenol TMC,BPTMC · Bisphenol TMC Solution · Bisphenol TMC in acetonitrile · Bisphenol TMC@10 mg/mL in Methanol
식별자 및 물리적 특성
| CAS No. | 129188-99-4 |
|---|---|
| 분자식 | C21H26O2 |
| 평균 분자량 | 310.4 g/mol |
| 단동위원소 질량 | 310.19328007 g/mol |
| SMILES | CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1 |
| InChIKey | UMPGNGRIGSEMTC-UHFFFAOYSA-N |
| PubChem CID | 4134035 |
| ChEMBL | CHEMBL5877031 |
| EC No. | 603-320-4 |
| DTXSID | DTXSID50881048 |
화학 및 물리적 성질
| XLogP | 6.3 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 365 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Dry Powder |
| 녹는점 | 204-207°C |
| 끓는 점 | 450.8±38.0 °C(Predicted) |
| 밀도 | 1.075±0.06 g/cm3(Predicted) |
| 저장 조건 | Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 9.91±0.30(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| BRN | 9785841 |
| 헨리 상수 | 4.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3 |
| InChIKey | UMPGNGRIGSEMTC-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CC(C)CC(C)(C)C1 |
| EPA | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- (129188-99-4) |
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
|---|---|
| 규제 정보 | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Aquatic Chronic 1 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26 |
| 기존화학 물질 | 2015-3-6823 |
용도
개요
Bisphenol TMC, also known as 2,2-bis-(4-hydroxy phenyl) butane, is a very important organic chemistry raw material, they are as macromolecular material intermediate, are applied in the fields such as synthetic epoxy resin, cyanate, polycarbonate, polyarylester and resol widely.
용도
Bisphenol TMC(1,1-Bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane) is a bisphenol derivative used in the preparation of polycarbonate, polyester and epoxy resins.