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Antioxidant 245
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Name

Antioxidant 245

 EINECS 253-039-2
CAS No. 36443-68-2 Density 1.106 g/cm3
PSA 111.52000 LogP 5.99460
Solubility 104μg/L at 23℃ Melting Point N/A
Formula C34H50O8 Boiling Point 674.5 °C at 760 mmHg
Molecular Weight 586.766 Flash Point 202.4 °C
Transport Information N/A Appearance White crystal or powder
Safety 61 Risk Codes 52/53
Molecular Structure Molecular Structure of 36443-68-2 (Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate) Hazard Symbols N/A
Synonyms

Benzenepropanoicacid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-,1,2-ethanediylbis(oxy-2,1-ethanediyl) ester (9CI);ADK Stab AO 70;AO 245;AO70;Ethylenebis(oxyethylene)bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate];IR 245;Irganox 245;Irganox295;Irganox I 245;PH 2450;Selosol J 162;Stabiace PH 2450;TK 12627;Tominokusu 917;Tominox 917;Triethylene glycolbis-[3-(3'-tert-butyl-4'-hydroxy-5'-methylphenyl)propionate];Triethyleneglycol bis[3-(3-tert-butyl-5-methyl-4-hydroxyphenyl)propionate];Triethylene glycolbis[b-(5-tert-butyl-4-hydroxy-3-methylphenyl)propionate];

Article Data 2

Antioxidant 245 Synthetic route

6386-39-6

β-(5-tert-butyl-4-hydroxy-3-methylphenyl)propionic acid methyl ester

51590-67-1

monobutyltin oxide

856335-90-5

oxalic acid monohydrate

36443-68-2

tri(ethylene glycol)bis-3-(3-tert-butyl-4-hydroxy-5-methyl-5-methylphenyl)propionate

Conditions
ConditionsYield
With nitrogen In water; toluene; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol95%
In water; toluene; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol94%

Antioxidant 245 Chemical Properties

Molecular Structure of Antioxidant 245 (CAS NO.36443-68-2):

IUPAC Name: 2-[2-[2-[3-(3-tert-Butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
Molecular Weight: 586.756 [g/mol]
Molecular Formula: C34H50O8
XLogP3-AA: 6.9
H-Bond Donor: 2
H-Bond Acceptor: 8 
EINECS: 253-039-2
Product Categories: Organics 
Index of Refraction: 1.529
Molar Refractivity: 163.84 cm3
Molar Volume: 530.4 cm3
Surface Tension: 41.2 dyne/cm
Density: 1.106 g/cm3
Flash Point: 202.4 °C
Enthalpy of Vaporization: 102.63 kJ/mol
Boiling Point: 674.5 °C at 760 mmHg
Vapour Pressure: 8.21E-19 mmHg at 25 °C
Appearance: White crystal or powder
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; Tumor data 
SMILES: O=C(OCCOCCOCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C)CCc2cc(c(O)c(c2)C(C)(C)C)C
InChI: InChI=1/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3
InChIKey: QSRJVOOOWGXUDY-UHFFFAOYAU

Antioxidant 245 Consensus Reports

Reported in EPA TSCA Inventory.

Antioxidant 245 Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating vapors.

Antioxidant 245 Specification

 Antioxidant 245 (CAS NO.36443-68-2), its Synonyms are Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester ; Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester ; Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester ; Ethylenebis(oxyethylene) bis(3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate) ; Irganox 245 ; Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate ; TK 12627 .

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