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Molecule
Cetyl Palmitate
CAS: 540-10-3 · C32H64O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 540-10-3
- Molecular Formula
- C32H64O2
- Molecular Mass
- 480.86 g/mol
Identifiers
CAS Registry Number
540-10-3
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
InChI Key
PXDJXZJSCPSGGI-UHFFFAOYSA-N
InChI
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
Names and Synonyms
- Cetyl Palmitate Common Name
- Hexadecanoic acid, hexadecyl ester Synonym
- Palmitic acid, hexadecyl ester Synonym
- Palmitic acid, cetyl ester Synonym
- 1-Hexadecanol, palmitate Synonym
- Cetin Synonym
- Cetyl palmitate Synonym
- Hexadecyl palmitate Synonym
- n-Hexadecyl hexadecanoate Synonym
- Palmityl palmitate Synonym
- Hexadecyl hexadecanoate Synonym
- Standamul 1616 Synonym
- Starfol Wax CG Synonym
- n-Hexadecyl n-hexadecanoate Synonym
- Precifac Synonym
- Cutina CP Synonym
- Stepan 653 Synonym
- Stepantex 653 Synonym
- N-SP Synonym
- Kessco 653 Synonym
- Palmitic acid palmityl ester Synonym
- Cutina CPA Synonym
- Estol 3694 Synonym
- Nikkol N-SP Synonym
- Precifac ATO Synonym
- S 653 Synonym
- Radia 7500 Synonym
- Nikkol N-SPV Synonym
- Cutina CP-PH Synonym
- Kollicream CP 15 Synonym
- Amleps PC Synonym
- Monecol PC Synonym
- Amreps PC Synonym
- Crodamol CP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 480.86 g/mol | CAS Common Chemistry |
| 480.86200000000053 g/mol | RDKit | |
| 480.862 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cetyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PXDJXZJSCPSGGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | Cetyl palmitate | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 29 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 11.492199999999986 | RDKit |
| 11.4922 | RDKit | |
| 11.85 | chempirical lib | |
| Molar Refractivity | 151.58299999999983 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9688 | RDKit |
| 0.97 | chempirical lib | |
| Exact Mass | 480.49063128800003 g/mol | RDKit |
| Boiling Point | 451 °C @ 760 Torr | CAS Common Chemistry |
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
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 = 480.86 g/mol. Edit any field — others recompute live.
