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Myristic Acid
CAS: 544-63-8 | C14H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
544-63-8
Molecular Formula:
C14H28O2
Molecular Mass:
228.38 g/mol
Names and Synonyms:
Myristic Acid
Tetradecanoic acid
n-Tetradecan-1-oic acid
Prifac 2942
NAA 142
NAA 104
Emery 655
Hystrene 9014
Edenor C 14
Kortacid 1499
Philacid 1400
NSC 5028
Lunac MY 98
Prifrac 2942
Edenor C 14/98-100
1-Tetradecanoic acid
MY 98
Imex C 1499
Palmac 98-14
Lunac M 98
Edenor C14-99 (C)
Sinar FA 1499
Myristates
Edenor C14-99
POFAC 1498
Myristic acid
Neo-Fat 14
Univol U 316S
n-Tetradecoic acid
1-Tridecanecarboxylic acid
n-Tetradecanoic acid
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
Key Properties
Boiling Point
326.2 °C
CAS Common Chemistry
Melting Point
58.5 °C
CAS Common Chemistry
Density
0.86 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 | 228.38 g/mol | CAS Common Chemistry |
| 228.37599999999995 g/mol | RDKit | |
| 228.208930136 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8622 g/cm3 @ Temp: 54 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Myristic_acid | CAS Common Chemistry |
| Boiling Point | 326.2 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.5 °C | CAS Common Chemistry |
| Name | Myristic acid | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 4.772100000000004 | RDKit |
| Molar Refractivity | 68.71380000000006 | RDKit |
