Back to Search
Tripalmitin
CAS: 555-44-2 | C51H98O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
555-44-2
Molecular Formula:
C51H98O6
Molecular Mass:
807.34 g/mol
Names and Synonyms:
Tripalmitin
Hexadecanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
Palmitin, tri-
Hexadecanoic acid, 1,2,3-propanetriyl ester
Glycerol tripalmitate
Glyceryl tripalmitate
Tripalmitin
Palmitic triglyceride
Triglyceryl palmitate
Tripalmitoylglycerol
Spezialfett 116
Barolub LCD
Dynasan 116
Tripalmitate
Glycerin tripalmitate
Triglyceride PPP
Glyceryl trihexadecanoate
Dynosan 114
Palmitic acid triglyceride
2,3-Di(hexadecanoyloxy)propyl hexadecanoate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI:
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
Key Properties
Boiling Point
315 °C
CAS Common Chemistry
Melting Point
66.5 °C
CAS Common Chemistry
Density
0.87 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 | 807.34 g/mol | CAS Common Chemistry |
| 807.3389999999995 g/mol | RDKit | |
| 806.736340856 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.866 g/cm3 @ Temp: 80 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tripalmitin | CAS Common Chemistry |
| Boiling Point | 315 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PVNIQBQSYATKKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66.5 °C | CAS Common Chemistry |
| Name | Tripalmitin | CAS Common Chemistry |
| Heavy Atom Count | 57 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 47 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.9 Ų | RDKit |
| LogP | 16.428499999999964 | RDKit |
| Molar Refractivity | 242.7339999999988 | RDKit |
