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Methyl Myristate
CAS: 124-10-7 | C15H30O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-10-7
Molecular Formula:
C15H30O2
Molecular Mass:
242.40 g/mol
Names and Synonyms:
Methyl Myristate
Tetradecanoic acid, methyl ester
Myristic acid, methyl ester
Metholeneat 2495
Methyl myristate
Methyl tetradecanoate
Uniphat A50
Methyl n-tetradecanoate
Pastell M 14
NSC 5029
Emery 2214
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)OC
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
Key Properties
Boiling Point
295 °C
CAS Common Chemistry
Melting Point
19 °C
CAS Common Chemistry
Density
0.87 g/cm³
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 | 242.40 g/mol | CAS Common Chemistry |
| 242.40299999999993 g/mol | RDKit | |
| 242.2245802 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8671 g/cm3 @ Temp: 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 |
| Molar Refractivity | 73.09400000000007 | RDKit |
