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Molecule
Antioxidant 245
CAS: 36443-68-2 · C34H50O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 36443-68-2
- Molecular Formula
- C34H50O8
- Molecular Mass
- 586.77 g/mol
Identifiers
CAS Registry Number
36443-68-2
SMILES
Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChI Key
QSRJVOOOWGXUDY-UHFFFAOYSA-N
InChI
InChI=1S/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
Names and Synonyms
- Antioxidant 245 Common Name
- Triethylene glycol bis[3-(3-tert-butyl-5-methyl-4-hydroxyphenyl)propionate] Synonym
- Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester Synonym
- Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester Synonym
- 1,1′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] bis[3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate] Synonym
- Triethylene glycol bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate] Synonym
- Irganox 245 Synonym
- Irganox 295 Synonym
- Triethylene glycol bis[β-(3-tert-butyl-5-methyl-4-hydroxyphenyl)propionate] Synonym
- Triethylene glycol bis-[3-(3′-tert-butyl-4′-hydroxy-5′-methylphenyl)propionate] Synonym
- TK 12627 Synonym
- Triethylene glycol bis[β-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate] Synonym
- IR 245 Synonym
- Tominox 917 Synonym
- Tominokusu 917 Synonym
- ADK Stab AO 70 Synonym
- AO 70 Synonym
- Selosol J 162 Synonym
- Irganox I 245 Synonym
- Antioxidant 245 Synonym
- AO 245 Synonym
- Stabiace PH 2450 Synonym
- PH 2450 Synonym
- Triethylene glycol bis[β-(5-tert-butyl-4-hydroxy-3-methylphenyl)propionate] Synonym
- Ethylenebis(oxyethylene) bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate] Synonym
- Hostanox 245 Synonym
- TH 245 Synonym
- Chemnox 245 Synonym
- KY 586 Synonym
- Ethylenebis(oxyethylene)bis(3-tert-butyl-4-hydroxy-5-methylbenzenepropanoate) Synonym
- KY 2080 Synonym
- Songnox 245 Synonym
- IRG 245 Synonym
- Songnox 2450FF Synonym
- Lowinox GP 45 Synonym
- Chinox 245 Synonym
- XH 245 Synonym
- Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate Synonym
- AT 245 Synonym
- Irganox 245FF Synonym
- IG 245 Synonym
- Ethylenebis(oxyethylene)bis-(3-(5-tert-butyl-4-hydroxy-m-tolyl)-propionate) Synonym
- Antioxidant 2450 Synonym
- I 245 Synonym
- Rianox 245 Synonym
- Triethylene glycol bis-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate] Synonym
- 3-(1,1-Dimethylethyl)-4-hydroxy-5-methylbenzenepropanoic acid, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 586.77 g/mol | CAS Common Chemistry |
| 586.7660000000003 g/mol | RDKit | |
| 586.766 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOCCOCCOC(=O)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C)CCC=2C=C(C(O)=C(C2)C(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/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 | CAS Common Chemistry |
| InChI Key | InChIKey=QSRJVOOOWGXUDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Antioxidant 245 | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.52000000000001 Ų | RDKit |
| 111.52 Ų | RDKit | |
| LogP | 5.9946400000000075 | RDKit |
| 5.9946 | RDKit | |
| Molar Refractivity | 163.28559999999968 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 586.35056856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 586.77 g/mol. Edit any field — others recompute live.
