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Molecule
Myristic Acid
CAS: 544-63-8 · C14H28O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 544-63-8
- Molecular Formula
- C14H28O2
- Molecular Mass
- 228.38 g/mol
Identifiers
CAS Registry Number
544-63-8
SMILES
CCCCCCCCCCCCCC(=O)O
InChI Key
TUNFSRHWOTWDNC-UHFFFAOYSA-N
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)
Names and Synonyms
- Myristic Acid Common Name
- Tetradecanoic acid Synonym
- n-Tetradecan-1-oic acid Synonym
- Prifac 2942 Synonym
- NAA 142 Synonym
- NAA 104 Synonym
- Emery 655 Synonym
- Hystrene 9014 Synonym
- Edenor C 14 Synonym
- Kortacid 1499 Synonym
- Philacid 1400 Synonym
- NSC 5028 Synonym
- Lunac MY 98 Synonym
- Prifrac 2942 Synonym
- Edenor C 14/98-100 Synonym
- 1-Tetradecanoic acid Synonym
- MY 98 Synonym
- Imex C 1499 Synonym
- Palmac 98-14 Synonym
- Lunac M 98 Synonym
- Edenor C14-99 (C) Synonym
- Sinar FA 1499 Synonym
- Myristates Synonym
- Edenor C14-99 Synonym
- POFAC 1498 Synonym
- Myristic acid Synonym
- Neo-Fat 14 Synonym
- Univol U 316S Synonym
- n-Tetradecoic acid Synonym
- 1-Tridecanecarboxylic acid Synonym
- n-Tetradecanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.38 g/mol | CAS Common Chemistry |
| 228.37599999999995 g/mol | RDKit | |
| 228.376 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8622 g/cm3 @ 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 |
| 4.7721 | RDKit | |
| 4.83 | chempirical lib | |
| Molar Refractivity | 68.71380000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 228.208930136 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 228.38 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H28O2.
