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Molecule
Methyl Palmitate
CAS: 112-39-0 · C17H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-39-0
- Molecular Formula
- C17H34O2
- Molecular Mass
- 270.46 g/mol
Identifiers
CAS Registry Number
112-39-0
SMILES
CCCCCCCCCCCCCCCC(=O)OC
InChI Key
FLIACVVOZYBSBS-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
Names and Synonyms
- Methyl Palmitate Common Name
- Hexadecanoic acid, methyl ester Synonym
- Palmitic acid, methyl ester Synonym
- Metholene 2216 Synonym
- Methyl hexadecanoate Synonym
- Methyl palmitate Synonym
- Uniphat A60 Synonym
- Methyl n-hexadecanoate Synonym
- n-Hexadecanoic acid methyl ester Synonym
- Emery 2216 Synonym
- Pastell M 16 Synonym
- NSC 4197 Synonym
- Edenor ME-C 16-80MY Synonym
- Edenor ME C16-98 Synonym
- Radia 7120 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.46 g/mol | CAS Common Chemistry |
| 270.45699999999994 g/mol | RDKit | |
| 270.457 g/mol | RDKit | |
| Boiling Point | 417 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FLIACVVOZYBSBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30 °C | CAS Common Chemistry |
| Name | Methyl palmitate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 5.640700000000005 | RDKit |
| 5.6407 | RDKit | |
| 6.0 | chempirical lib | |
| Molar Refractivity | 82.32800000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9412 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 270.255880328 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 270.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H34O2.
