Basic information
- Name:
Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-,1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
- Superlist Name:
- Antioxidant 245
- CAS No.:
36443-68-2
- Molecular Structure:
![Molecular Structure of 36443-68-2 (Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-,1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester)](http://www.lookchem.com/300w/2010/0621/36443-68-2.jpg)
- Formula:
- C34H50O8
- Molecular Weight:
- 586.84
- Deleted CAS:
- 845535-92-4|181719-87-9|179045-97-7|134369-42-9|110324-77-1|109854-43-5
- 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
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Chemistry
Molecular Structure of Antioxidant 245 (CAS NO.36443-68-2):
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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
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating vapors.
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 .
