Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,4′-메틸렌비스(2,6-디-3차-부틸페놀)
4,4′-메틸렌비스(2,6-디-3차-부틸페놀) · 4,4'-메틸렌비스(2,6-디-삼차부틸페놀) · 4,4'-메틸렌비스(2,6-디-삼차뷰틸페놀) · 4,4'-메틸렌비스(2,6-다이-테르트-부틸페놀) · Antioxidant 702 · antioxidante702 · e702 · l3mb1
식별자 및 물리적 특성
| CAS No. | 118-82-1 |
|---|---|
| 분자식 | C29H44O2 |
| 평균 분자량 | 424.7 g/mol |
| 단동위원소 질량 | 424.33413064 g/mol |
| SMILES | CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O |
| InChIKey | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
| PubChem CID | 8372 |
| ChEMBL | CHEMBL1795577 |
| ChEBI | CHEBI:34369 |
| EC No. | 204-279-1 |
| DTXSID | DTXSID7022411 |
| 현지명 | 4,4′-메틸렌비스(2,6-디-3차-부틸페놀) |
화학 및 물리적 성질
| XLogP | 9.8 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 31 |
| 형식 전하 | 0 |
| 복잡도 | 480 |
| Physical Description | Dry PowderWhite or yellow powder[Alfa Aesar MSDS] |
| Collision Cross Section | 221.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7022411] |
| 녹는점 | 155-159 °C(lit.) |
| 끓는 점 | 289 °C40 mm Hg(lit.) |
| 밀도 | 0.99 g/cm3 (20℃) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.4875 (estimate) |
| 인화점 | 289°C/40mm |
| 저장 조건 | Store below +30°C. |
| 용해도 | <0.0001g/l |
| pKa(산도 계수) | 12.03±0.40(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| 용해도 | 31.9ng/L at 20℃ |
| BRN | 1916919 |
| 안정성 | 솔루션이 불안정합니다.현장에서 준비하여 영업일 기준 1일 이내에 사용해야 합니다. |
| InChI | 1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3 |
| InChIKey | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C |
| LogP(분배 계수) | 8.9 at 25℃ |
| NIST | Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1) |
| EPA | Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1) |
화학적 성질
light yellow crystalline
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 65.9% (571 of 866) of all reports.H413 (18.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 866 reports by companies from 9 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 571 of 866 reports by companies.There are 8 notifications provided by 295 of 866 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and eye irritant in rabbitsNo mortality or gross lesions observed in oral lethal-dose study of rats at 5,000 mg/kgAnother lethal-dose study of rats produced increasing severity of hepatic degeneration in animals that died (doses of 4,700-36,000 mg/kg)No mortality or symptoms of systemic toxicity observed in dermal lethal-dose study of rats at doses up to 36,000 mg/kg[IUCLID] Causes ulceration or bleeding from the large intestine and fibrous hepatitis (cirrhosis, post necrotic scarring) in 2-year constant feeding studies of dogs[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 2,2'-Methylenebis(6-t-butyl-4-ethylphenol). |
| Hazard Classes and Categories | Aquatic Chronic 4 (18.2%) |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SL9650000 |
| 독성 | LD50 oral in rat: > 24gm/kg |
| 관세 코드 | 29072990 |
| 위험 문구(R) | 36/37/38-38-37-36 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-23813 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Antioxidant.