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Molecule
Myristyl Myristate
CAS: 3234-85-3 · C28H56O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3234-85-3
- Molecular Formula
- C28H56O2
- Molecular Mass
- 424.75 g/mol
Identifiers
CAS Registry Number
3234-85-3
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChI Key
DZKXJUASMGQEMA-UHFFFAOYSA-N
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
Names and Synonyms
- Myristyl Myristate Common Name
- Tetradecanoic acid, tetradecyl ester Synonym
- Myristic acid, tetradecyl ester Synonym
- 1-Tetradecanol, myristate Synonym
- Tetradecyl tetradecanoate Synonym
- Myristyl myristate Synonym
- Cyclochem MM Synonym
- Ceraphyl 424 Synonym
- Tetradecyl myristate Synonym
- Crodamol MM Synonym
- Liponate MM Synonym
- Cetiol MM Synonym
- Alkamuls MM/M Synonym
- Exceparl MY-M Synonym
- Schercemol MM Synonym
- Tegosoft MM Synonym
- Nikkol MM Synonym
- Super Refined Crodamol MM-SO-(JP) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 424.75 g/mol | CAS Common Chemistry |
| 424.7540000000004 g/mol | RDKit | |
| 424.754 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCC)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DZKXJUASMGQEMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37.4 °C | CAS Common Chemistry |
| Name | Myristyl myristate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 25 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 9.931799999999997 | RDKit |
| 9.9318 | RDKit | |
| 10.29 | chempirical lib | |
| Molar Refractivity | 133.11500000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9643 | RDKit |
| 0.96 | chempirical lib | |
| Exact Mass | 424.428031032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| 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.
External Resources
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MW = 424.75 g/mol. Edit any field — others recompute live.
