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Thiodiethylene Bis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate)
CAS: 41484-35-9 | C38H58O6S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
41484-35-9
Molecular Formula:
C38H58O6S
Molecular Mass:
642.94 g/mol
Names and Synonyms:
Thiodiethylene Bis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate)
Antioxidant 1035
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1′-(thiodi-2,1-ethanediyl) ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester
2,2′-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyhydrocinnamate]
Thiodiethylene glycol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
2,2′-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Bis[2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyloxy]ethyl] sulfide
Bis[(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl-2-oxyethyl] sulfide
Irganox 1035
Fenozan 30
3-Thia-1,5-pentanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Irganox 1035FF
Thiodi(2,1-ethanediyl) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
Irganox L 1035
Naugard EL 50
2-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid 2,2′-thiobisethanol diester
AO 75
Durad AX 15
Thiodiethylene glycol bis[β-(4-hydroxy-3,5-di(tert-butyl)phenyl)propionate]
Thiodiethylene glycol bis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
IR 1035
Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Irganox L 115
Anox 70
3,5-Di-tert-butyl-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester
Chinox 1035
2,2′-Thiodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
S 35
L 115
2,2-Thiodiethylene bis-[(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Chinox S 35
2,2′-Thiodiethylene bis[3(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 1,1′-(thiodi-2,1-ethanediyl) ester
2-[2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
AO 1035
S 65385
Identifiers:
SMILES:
CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChI:
InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3
Key Properties
Melting Point
70 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 642.94 g/mol | CAS Common Chemistry |
| 642.9430000000002 g/mol | RDKit | |
| 642.395410576 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCSCCOC(=O)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)CCC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VFBJXXJYHWLXRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) | CAS Common Chemistry |
| Heavy Atom Count | 45 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 93.06 Ų | RDKit |
| LogP | 8.672800000000006 | RDKit |
| Molar Refractivity | 186.89859999999933 | RDKit |
