기본 정보
- CAS
31877-16-4- 표준 SMILES
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2OP(Oc2c(Cc3cc(C)cc(C(C)(C)C)c3O)cc(C)cc2C(C)(C)C)Oc2c(Cc3cc(C)cc(C(C)(C)C)c3O)cc(C)cc2C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
XDJMVQWHMUCIMI-UHFFFAOYSA-N- 분자식
- C69H93O6P
- 평균 분자량
- 1,049.4 g/mol
- 단동위원소 질량
- 1,048.67097768
이름 및 식별자
- 우선 이름
- Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, 1,1',1''-phosphite
- IUPAC
- tris[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] phosphite
- 영어명
- Phosphorous acid tris[2-[2-hydroxy-3-(1,1-dimethylethyl)-5-methylbenzyl]-6-(1,1-dimethylethyl)-4-methylphenyl] ester
- 분자식
- C69H93O6P
- 분자량
- 1049.45
이름 및 동의어
31877-16-42,2'-Methylenebis(6-tert-butyl-4-methylphenol) phosphite (3:1)Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-methyl-, 1,1',1''-phosphitePhenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-methyl-, phosphite (3:1)Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, phosphite (3:1)Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, 1,1',1''-phosphiteRefChem:172719XDJMVQWHMUCIMI-UHFFFAOYSA-NDTXSID301139724tris{2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl} phosphitePhenol, 2,2a(2)-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, 1,1a(2),1a(2)a(2)-phosphitePhosphorous acid tris[2-[2-hydroxy-3-(1,1-dimethylethyl)-5-methylbenzyl]-6-(1,1-dimethylethyl)-4-methylphenyl] ester
데이터베이스 식별자
- CAS
31877-16-4- PubChem CID
- 71436935
- DTXSID
DTXSID301139724- Nikkaji
- J422.268G
물성
구조 계산 물성
- XLogP
- 22.4
- 극성 표면적
- 88.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,590
물리화학적 성질
- 끓는 점
- 900.4 · 900.4±65.0 °C(Predicted)
- 산도 계수 (pKa)
- 11.21 · 11.21±0.48(Predicted)
- EPA
- 2 · Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, phosphite (3:1) (31877-16-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, 1,1',1''-phosphite: INACTIVE
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