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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
Names and Synonyms:
Myristyl Myristate
Tetradecanoic acid, tetradecyl ester
Myristic acid, tetradecyl ester
1-Tetradecanol, myristate
Tetradecyl tetradecanoate
Myristyl myristate
Cyclochem MM
Ceraphyl 424
Tetradecyl myristate
Crodamol MM
Liponate MM
Cetiol MM
Alkamuls MM/M
Exceparl MY-M
Schercemol MM
Tegosoft MM
Nikkol MM
Super Refined Crodamol MM-SO-(JP)
Identifiers:
SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
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
Key Properties
Melting Point
37.4 °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 | 424.75 g/mol | CAS Common Chemistry |
| 424.7540000000004 g/mol | RDKit | |
| 424.428031032 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 |
| Molar Refractivity | 133.11500000000007 | RDKit |
