CAS 976-56-7 Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate (HCID 70421)

名称と識別子

優先名称: Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate
IUPAC: 2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
現地名: 3,5-ジ-tert-ブチル-4-ヒドロキシベンジルホスホン酸ジエチル
英語名: Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
分子式: C19H33O4P
分子量: 356.44

名称と別名

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

名称をさらに表示

3,5-ジ-tert-ブチル-4-ヒドロキシベンジルホスホン酸ジエチル3,5-ジtert-ブチル-4-ヒドロキシベンジルホスホン酸ジエチル(3,5-ジ-tert-ブチル-4-ヒドロキシベンジル)ホスホン酸ジエチル3,5-ジ-tert-ブチル-4-ヒドロキシベンジルホスホン酸ジエチルジエチル [(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)メチル]ホスホナート1222Light 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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.7
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 8
重原子数: 24
形式電荷: 0
複雑度: 402

実験および物理化学的性質

Food Contact Substances · 4 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

物理化学的性質

融点: 122 °C · 122 °C
沸点: 417 · 417.0±33.0 °C(Predicted)
比重(密度): 1.046 · 1.046±0.06 g/cm3(Predicted)
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 12.04 · 12.04±0.40(Predicted)
色: White to Almost white
水溶解度: 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℃
CAS データベース: 976 · 976-56-7(CAS DataBase Reference)
EPAの化学物質情報: 3 · Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester (976-56-7)

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 4 件

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