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CAS No.: | 36443-68-2 |
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Name: | Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C34H50O8 |
Molecular Weight: | 586.766 |
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]; |
EINECS: | 253-039-2 |
Density: | 1.106 g/cm3 |
Boiling Point: | 674.5 °C at 760 mmHg |
Flash Point: | 202.4 °C |
Solubility: | 104μg/L at 23℃ |
Appearance: | White crystal or powder |
Risk Codes: | 52/53 |
Safety: | 61 |
PSA: | 111.52000 |
LogP: | 5.99460 |
β-(5-tert-butyl-4-hydroxy-3-methylphenyl)propionic acid methyl ester
monobutyltin oxide
oxalic acid monohydrate
tri(ethylene glycol)bis-3-(3-tert-butyl-4-hydroxy-5-methyl-5-methylphenyl)propionate
Conditions | Yield |
---|---|
With nitrogen In water; toluene; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol | 95% |
In water; toluene; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol | 94% |
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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
Reported in EPA TSCA Inventory.
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating vapors.
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 .