트리스(2,4-디-터셔리-부틸페닐)포스파이트
아인산2,4-디-삼차뷰틸페놀 · 트리스(2,4-디-터셔리-부틸페닐)포스파이트 · 트리스(2,4-다이-t-뷰틸페닐)아인산염 · 아인산2,4-디-삼차뷰틸페놀(2,4-DI-tert-BUTYLPHENOLPHOSPHITE) · IRGAFOS 168 · Tris(2,4-ditert-butylphenyl)phosphate · TRIS(2,4-DI-TERT-BUTYLPHENYL) PHOSPHITE · AO 168
식별자 및 물리적 특성
| CAS No. | 31570-04-4 |
|---|---|
| 분자식 | C42H63O3P |
| 평균 분자량 | 646.9 g/mol |
| 단동위원소 질량 | 646.45148287 g/mol |
| SMILES | CC(C)(C)c1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1 |
| InChIKey | JKIJEFPNVSHHEI-UHFFFAOYSA-N |
| PubChem CID | 91601 |
| ChEBI | CHEBI:144343 |
| EC No. | 250-709-6 |
| DTXSID | DTXSID2027969 |
| 현지명 | 트리스(2,4-디-터셔리-부틸페닐)포스파이트 |
화학 및 물리적 성질
| XLogP | 15.5 |
|---|---|
| 극성 표면적 | 27.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 46 |
| 형식 전하 | 0 |
| 복잡도 | 823 |
| Physical Description | Dry PowderOther SolidLiquidLarge CrystalsCBI |
| Kovats Retention Index | 3396.7 |
| 녹는점 | 181-184 °C(lit.) |
| 끓는 점 | 594.2±50.0 °C(Predicted) |
| 밀도 | -0.98 |
| 인화점 | 46°C (115°F) |
| 저장 조건 | 2-8°C |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨, 가열) |
| 물리적 상태 | 가루 |
| 비중 | 0.98 |
| 색상 | 하얀색 |
| 헨리 상수 | 6.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 수분에 민감한 |
| InChIKey | JKIJEFPNVSHHEI-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc3ccc(cc3C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C |
| LogP(분배 계수) | 18 at 25℃ |
| EPA | Tris(2,4-di-tert-butylphenyl) phosphite (31570-04-4) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 90.3% (1252 of 1386) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 1252 of 1386 companies (only 9.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 1386 reports by companies from 10 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1252 of 1386 reports by companies.There are 6 notifications provided by 134 of 1386 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, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1)Regulation (EC) No 1935/2004 (amended)Phenol, 2,4-bis(1,1-dimethylethyl)-, 1,1',1''-phosphite is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-bis(1,1-dimethylethyl)-, 1,1',1''-phosphite 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: 02-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15253Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1): Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1): Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | - |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2920900002 |
| 기존화학 물질 | KE-03086 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
개요
ANTIOXIDANT 168 is a secondary antioxidant with excellent resistance to extraction by water, low volatility and high heat stability. It can effectively decompose hydroperoxides produced during the processing of polymeric materials. ANTIOXIDANT 168 usually not used alone, is compounded with hindered phenolic primary antioxidants such as 1010 to improve thermostability of polymer during the processing. There are over ten kinds of blends of 168 with phenolic antioxidants, widely use in the polymer materials such as PE, PP, PA, PC, ABS and so on.
용도
This product is an excellent Antioxidant wnameely applied to polyethylene, polypropylene, polyoxymethylene, ABS resin, PS resin, PVC, engineering plastics, binding agent, rubber, petroleum etc. for product polymerization.
일반 설명
Tris(2,4-di-tert-butylphenyl) phosphite is a triaryl based phosphite that can be used in catalysis and metallation. Its characteristic to undergo metallation reaction and provide a cost effective synthetic processes allows it to be useful in biaryl coupling reactions.