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Cetyl Palmitate
CAS: 540-10-3 | C32H64O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
540-10-3
Molecular Formula:
C32H64O2
Molecular Mass:
480.86 g/mol
Names and Synonyms:
Cetyl Palmitate
Hexadecanoic acid, hexadecyl ester
Palmitic acid, hexadecyl ester
Palmitic acid, cetyl ester
1-Hexadecanol, palmitate
Cetin
Cetyl palmitate
Hexadecyl palmitate
n-Hexadecyl hexadecanoate
Palmityl palmitate
Hexadecyl hexadecanoate
Standamul 1616
Starfol Wax CG
n-Hexadecyl n-hexadecanoate
Precifac
Cutina CP
Stepan 653
Stepantex 653
N-SP
Kessco 653
Palmitic acid palmityl ester
Cutina CPA
Estol 3694
Nikkol N-SP
Precifac ATO
S 653
Radia 7500
Nikkol N-SPV
Cutina CP-PH
Kollicream CP 15
Amleps PC
Monecol PC
Amreps PC
Crodamol CP
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
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
Key Properties
Boiling Point
451 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
54 °C
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 | 480.86 g/mol | CAS Common Chemistry |
| 480.86200000000053 g/mol | RDKit | |
| 480.49063128800003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cetyl_palmitate | CAS Common Chemistry |
| Boiling Point | 451 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 151.58299999999983 | RDKit |
