Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate (HCID 70421)

이름 및 식별자

우선 이름: Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate
IUPAC: 2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
현지명: 디에틸3,5-디-tert-부틸-4-히드록시벤질포스페이트
영어명: Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
분자식: C19H33O4P
분자량: 356.44

이름 및 동의어

Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl esterDTXSID7061356Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonatePhosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, diethyl esterdiethyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonatePhosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, diethyl esterPhosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl esterRefChem:586974DTXCID4049036Phosphonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethyl-, diethyl ester976-56-7Diethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate

이름 더 보기

디에틸3,5-디-tert-부틸-4-히드록시벤질포스페이트1222Light stabilizer 1222AN-1222Irganox1222IRGANOX®CHLUMIAO 1222

Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphateMFCD002278712,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenolIrganox 1222NSC635180diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonateANTIOXIDANT 1222Diethyl 35-Di-tert-butyl-4-hydroxybenzylphosphonate

데이터베이스 식별자

CAS: 976-56-7
PubChem CID: 70421
DTXSID: DTXSID7061356
UNII: V6MOU97T5J
EC Number: 213-551-9
Nikkaji: J298.580B

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 24
형식 전하: 0
복잡도: 402

실험 및 물리화학적 성질

Food Contact Substances · 4건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

물리화학적 성질

녹는점: 122 °C · 122 °C
끓는 점: 417 · 417.0±33.0 °C(Predicted)
밀도: 1.046 · 1.046±0.06 g/cm3(Predicted)
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 12.04 · 12.04±0.40(Predicted)
색상: 흰색에서 거의 흰색
수용성: 14 mg/L · 14mg/L at 20℃
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
InChIKey: GJDRKHHGPHLVNI-UHFFFAOYSA-N
SMILES: P(CC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(=O)(OCC)OCC
LogP: 2.9 at · 2.9 at 23℃
EPA: 3 · Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester (976-56-7)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (109 of 109) of all reports.

Not Classified

Aggregated GHS information provided per 109 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester

Regulation (EC) No 1935/2004 (amended)

Status: Active Update: 30-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16830

Phosphonic 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.

Hazard Classes and CategoriesNot Classified