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Molecule
Methyl Myristate
CAS: 124-10-7 · C15H30O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-10-7
- Molecular Formula
- C15H30O2
- Molecular Mass
- 242.40 g/mol
Identifiers
CAS Registry Number
124-10-7
SMILES
CCCCCCCCCCCCCC(=O)OC
InChI Key
ZAZKJZBWRNNLDS-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
Names and Synonyms
- Methyl Myristate Common Name
- Tetradecanoic acid, methyl ester Synonym
- Myristic acid, methyl ester Synonym
- Metholeneat 2495 Synonym
- Methyl myristate Synonym
- Methyl tetradecanoate Synonym
- Uniphat A50 Synonym
- Methyl n-tetradecanoate Synonym
- Pastell M 14 Synonym
- NSC 5029 Synonym
- Emery 2214 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.40 g/mol | CAS Common Chemistry |
| 242.40299999999993 g/mol | RDKit | |
| 242.403 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8671 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAZKJZBWRNNLDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19 °C | CAS Common Chemistry |
| Name | Methyl myristate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.8605000000000045 | RDKit |
| 4.8605 | RDKit | |
| 5.22 | chempirical lib | |
| Molar Refractivity | 73.09400000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9333 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 242.2245802 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
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.
External Resources
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Quick conversion
MW = 242.40 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H30O2.
