Back to Search
Molecule
3,9-Bis[2-[3-(3-Tert-Butyl-4-Hydroxy-5-Methylphenyl)Propionyloxy]-1,1-Dimethylethyl]-2,4,8,10-Tetraoxaspiro[5.5]Undecane
CAS: 90498-90-1 · C43H64O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90498-90-1
- Molecular Formula
- C43H64O10
- Molecular Mass
- 740.98 g/mol
Identifiers
CAS Registry Number
90498-90-1
SMILES
Cc1cc(CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O
InChI Key
CGRTZESQZZGAAU-UHFFFAOYSA-N
InChI
InChI=1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3
Names and Synonyms
- 3,9-Bis[2-[3-(3-Tert-Butyl-4-Hydroxy-5-Methylphenyl)Propionyloxy]-1,1-Dimethylethyl]-2,4,8,10-Tetraoxaspiro[5.5]Undecane Synonym
- Antioxidant AO 80 Synonym
- 3,9-Bis[1,1-dimethyl-2-[β-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]ethyl]-2,4,8,10-tetraoxaspiro(5.5)undecane Synonym
- (2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2,2-dimethyl-2,1-ethanediyl) bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate] Synonym
- Antioxidant GA 80 Synonym
- A 80 Synonym
- GA Synonym
- GA 80 Synonym
- Adekastab AO 80 Synonym
- 3-(1,1-Dimethylethyl)-4-hydroxy-5-methylbenzenepropanoic acid, 1,1′-[2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl)] ester Synonym
- Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1′-[2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl)] ester Synonym
- Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl) ester Synonym
- 2,4,8,10-Tetraoxaspiro[5.5]undecane, benzenepropanoic acid deriv. Synonym
- Sumilizer GA 80 Synonym
- Mark AO 80 Synonym
- 3,9-Bis[1,1-dimethyl-2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane Synonym
- Sumilizer GA Synonym
- ADK Stab AO 80 Synonym
- Sumilizer AG 80 Synonym
- 3,9-Bis[1,1-dimethyl-2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane Synonym
- LX 802 Synonym
- AO 80 Synonym
- 3,9-Bis[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]-1,1-dimethylethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane Synonym
- ADK Stab LX 803A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 740.98 g/mol | CAS Common Chemistry |
| 740.9750000000001 g/mol | RDKit | |
| 740.975 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(C)(C)C1OCC2(CO1)COC(OC2)C(C)(C)COC(=O)CCC3=CC(=C(O)C(=C3)C(C)(C)C)C)CCC4=CC(=C(O)C(=C4)C(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CGRTZESQZZGAAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | 3,9-Bis[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]-1,1-dimethylethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane | CAS Common Chemistry |
| Heavy Atom Count | 53 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 129.98000000000002 Ų | RDKit |
| 129.98 Ų | RDKit | |
| LogP | 7.746040000000011 | RDKit |
| 7.746 | RDKit | |
| Molar Refractivity | 203.02659999999926 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6744 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 740.4499482479999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 740.98 g/mol. Edit any field — others recompute live.
