Diethyl-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonat

1222 · Antioxidant 1222 · Light stabilizer 1222 · DIETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE · AN-1222 · Irganox1222 · IRGANOX®CHLUMIAO 1222 · 2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol

https://huagongshe.com/de/chemical/70421

Molekülstruktur von Diethyl-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonat

Identifikatoren & physikalische Daten

CAS No.	976-56-7
Summenformel	C19H33O4P
Durchschnittliche Molmasse	356,4 g/mol
Monoisotopische Masse	356,21164617 g/mol
SMILES	CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC
InChIKey	GJDRKHHGPHLVNI-UHFFFAOYSA-N
PubChem CID	70421
EC No.	213-551-9
DTXSID	DTXSID7061356
Lokaler Name	Diethyl-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonat

Chemische & physikalische Eigenschaften

XLogP	4,7
Polarare Oberfläche (TPSA)	55,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	8
Schwere Atome	24
Formalladung	0
Komplexität	402
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Schmelzpunkt	122 °C
Siedepunkt	417.0±33.0 °C(Predicted)
Dichte	1.046±0.06 g/cm3(Predicted)
Löslichkeit	soluble in Methanol14mg/L at 20℃
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	12.04±0.40(Predicted)
Farbe	White to Almost white
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 (Verteilungskoeffizient)	2.9 at 23℃
CAS Datenbank	976-56-7(CAS DataBase Reference)
EPA chemische Informationen	Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester (976-56-7)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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.
Hazard Classes and Categories	Not Classified
TSCA-Inventar-Status	TSCA listed
Zollcode	2920.90.2000
Gefahrensymbole	Xi