Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2'-메틸렌비스(6-T-뷰틸-4-에틸페놀)
2,2′-메틸렌비스(6-삼차-부틸-4-에틸페놀) · 2,2'-메틸렌비스(6-T-뷰틸-4-에틸페놀) · 2,2'-메틸레네비스(4-에틸-6-tert-부틸페놀) · Chemanox 22 · cyanox425 · Cyanox 425 · Antioxidant 425 · ao425
식별자 및 물리적 특성
| CAS No. | 88-24-4 |
|---|---|
| 분자식 | C25H36O2 |
| 평균 분자량 | 368.6 g/mol |
| 단동위원소 질량 | 368.27153039 g/mol |
| SMILES | CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 |
| InChIKey | GPNYZBKIGXGYNU-UHFFFAOYSA-N |
| PubChem CID | 6928 |
| ChEMBL | CHEMBL3182523 |
| EC No. | 201-814-0 |
| DTXSID | DTXSID7038864 |
| 현지명 | 2,2'-메틸렌비스(6-T-뷰틸-4-에틸페놀) |
화학 및 물리적 성질
| XLogP | 8.1 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 416 |
| 물질 분류 | Other Classes -> Other Aromatic Compounds |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderPale cream to white free flowing powder with a phenolic odor[MSDSonline] |
| Collision Cross Section | 203.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7038864] |
| 녹는점 | 119-122 °C(lit.) |
| 끓는 점 | 458.86°C (rough estimate) |
| 밀도 | 1.010 |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.4894 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 11.37±0.48(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| InChI | InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3 |
| InChIKey | GPNYZBKIGXGYNU-UHFFFAOYSA-N |
| SMILES | C(C1=CC(CC)=CC(C(C)(C)C)=C1O)C1=CC(CC)=CC(C(C)(C)C)=C1O |
| LogP(분배 계수) | 8.95 at 20℃ |
| EPA | 2,2'-Methylenebis[6-(tert-butyl)-4-ethylphenol] (88-24-4) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 48.7% (57 of 117) of reports.WarningH315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 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, 2,2â²-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- 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)Status: Active Update: 27-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20809Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: 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 | A reproductive effectorCauses changes in motor activity in lethal-dose feeding studies of rats[RTECS] An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (35.9%) |
| Non-Human Toxicity Excerpts | HEPATIC LIPIDS WERE STUDIED IN SPRAGUE-DAWLEY MALE RATS GIVEN, 2,2'- METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL), AT LEVEL OF 1.135 MMOL% FOR 1 WK. IT INDUCED FATTY LIVER & INCR TRIGLYCERIDE, DIGLYCERIDE & CHOLESTERYL-ESTER CONCN. ALSO PRODUCED CHANGE IN LIVER LIPIDS. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SL9800000 |
| 독성 | LD50 oral in rat: > 10gm/kg |
용도
용도
Antioxidant