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Molecule
Dimyristyl Thiodipropionate
CAS: 16545-54-3 · C34H66O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16545-54-3
- Molecular Formula
- C34H66O4S
- Molecular Mass
- 570.97 g/mol
Identifiers
CAS Registry Number
16545-54-3
SMILES
CCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCC
InChI Key
LVEOKSIILWWVEO-UHFFFAOYSA-N
InChI
InChI=1S/C34H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-33(35)27-31-39-32-28-34(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
Names and Synonyms
- Dimyristyl Thiodipropionate Common Name
- Propanoic acid, 3,3′-thiobis-, 1,1′-ditetradecyl ester Synonym
- Propionic acid, 3,3′-thiodi-, ditetradecyl ester Synonym
- Propanoic acid, 3,3′-thiobis-, ditetradecyl ester Synonym
- Advastab PS 801 Synonym
- Myristyl thiodipropionate Synonym
- Dimyristyl 3,3′-thiodipropionate Synonym
- Advastab 801 Synonym
- Dimyristyl thiodipropionate Synonym
- Advastab 810 Synonym
- AO 4 Synonym
- DMTP Synonym
- TPM Synonym
- Sumilizer TPM Synonym
- Seenox DM Synonym
- Ditetradecylthiodipropionate Synonym
- Chimox 14 Synonym
- Cyanox MTDP Synonym
- Yoshinox DMTP Synonym
- Tetradecyl 3,3′-thiodipropionate Synonym
- DMTP Yoshitomi Synonym
- Antioxidant TPM Synonym
- DMTDP Synonym
- Antioxidant DM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 570.97 g/mol | CAS Common Chemistry |
| 570.9650000000003 g/mol | RDKit | |
| 570.965 g/mol | RDKit | |
| 570.958 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C34H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-33(35)27-31-39-32-28-34(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LVEOKSIILWWVEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-50 °C | CAS Common Chemistry |
| Name | Dimyristyl thiodipropionate | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 32 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 10.988399999999992 | RDKit |
| 10.9884 | RDKit | |
| Molar Refractivity | 170.63299999999956 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9412 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 570.468181592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 570.97 g/mol. Edit any field — others recompute live.
