Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 70421생성일: 2026년 10월 23일
디에틸3,5-디-tert-부틸-4-히드록시벤질포스페이트
디에틸3,5-디-tert-부틸-4-히드록시벤질포스페이트 · 1222 · Antioxidant 1222 · Light stabilizer 1222 · DIETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE · AN-1222 · Irganox1222 · IRGANOX®CHLUMIAO 1222
https://huagongshe.com/ko/chemical/70421
식별자 및 물리적 특성
| CAS No. | 976-56-7 |
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| 분자식 | C19H33O4P |
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| 평균 분자량 | 356.4 g/mol |
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| 단동위원소 질량 | 356.21164617 g/mol |
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| SMILES | CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC |
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| InChIKey | GJDRKHHGPHLVNI-UHFFFAOYSA-N |
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| PubChem CID | 70421 |
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| EC No. | 213-551-9 |
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| DTXSID | DTXSID7061356 |
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| 현지명 | 디에틸3,5-디-tert-부틸-4-히드록시벤질포스페이트 |
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화학 및 물리적 성질
| XLogP | 4.7 |
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| 극성 표면적 | 55.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 4 |
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| 회전 가능 결합 수 | 8 |
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| 무거운 원자 수 | 24 |
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| 형식 전하 | 0 |
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| 복잡도 | 402 |
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| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
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| 녹는점 | 122 °C |
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| 끓는 점 | 417.0±33.0 °C(Predicted) |
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| 밀도 | 1.046±0.06 g/cm3(Predicted) |
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| 용해도 | 메탄올에 용해됨 |
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| 물리적 상태 | powder to crystal |
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| pKa(산도 계수) | 12.04±0.40(Predicted) |
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| 색상 | 흰색에서 거의 흰색 |
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| 용해도 | 14mg/L at 20℃ |
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| InChI | InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3 |
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| InChIKey | GJDRKHHGPHLVNI-UHFFFAOYSA-N |
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| SMILES | P(CC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(=O)(OCC)OCC |
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| LogP(분배 계수) | 2.9 at 23℃ |
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| EPA | Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester (976-56-7) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (109 of 109) of all reports.Not ClassifiedAggregated GHS information provided per 109 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl esterRegulation (EC) No 1935/2004 (amended)Status: Active Update: 30-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16830Phosphonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethyl-, diethyl ester: 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. |
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| Hazard Classes and Categories | Not Classified |
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| TSCA 등재 상태 | TSCA listed |
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| 관세 코드 | 2920.90.2000 |
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| 위험 표시 | Xi |
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| 기존화학 물질 | KE-03076 |
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