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Molecule
Octyl palmitate
CAS: 29806-73-3 · C24H48O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29806-73-3
- Molecular Formula
- C24H48O2
- Molecular Mass
- 368.65 g/mol
Identifiers
CAS Registry Number
29806-73-3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
InChI Key
SFAAOBGYWOUHLU-UHFFFAOYSA-N
InChI
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
Names and Synonyms
- Octyl palmitate Synonym
- Ethylhexyl Palmitate Synonym
- Hexadecanoic acid, 2-ethylhexyl ester Synonym
- Palmitic acid, 2-ethylhexyl ester Synonym
- 2-Ethylhexyl palmitate Synonym
- Ceraphyl 368 Synonym
- Wickenol 155 Synonym
- Cegesoft C 24 Synonym
- Palmitic acid-2-ethylhexyl monoester Synonym
- Exceparl EH-P Synonym
- Kessco OP Synonym
- Kessco Octyl Palmitate Synonym
- Tegosoft OP Synonym
- Tegosoft O Synonym
- Salacos P 8 Synonym
- Lexol EHP Synonym
- Crodamol OP Synonym
- Saboderm OP Synonym
- Jeechem Op Synonym
- Dermol 816 Synonym
- Schercemol OP Synonym
- 2-Ethylhexyl hexadecanoate Synonym
- Nissan Unister MB 816 Synonym
- Unister MB 816 Synonym
- Pastell 2H16 Synonym
- MB 816 Synonym
- Ethylhexyl palmitate Synonym
- 2-Ethylhexyl palmate Synonym
- Radia 7129 Synonym
- Palmester 1543 Synonym
- Botanester EHP Synonym
- Neosolue-IOP Synonym
- Koyo POC Synonym
- Nikkol SG-IOP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.65 g/mol | CAS Common Chemistry |
| 368.6460000000002 g/mol | RDKit | |
| 368.646 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylhexyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SFAAOBGYWOUHLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2 °C | CAS Common Chemistry |
| Name | Octyl palmitate | CAS Common Chemistry |
| Ethylhexyl palmitate | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 8.227300000000008 | RDKit |
| 8.2273 | RDKit | |
| 8.73 | chempirical lib | |
| Molar Refractivity | 114.5770000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9583 | RDKit |
| 0.96 | chempirical lib | |
| Exact Mass | 368.365430776 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 368.65 g/mol. Edit any field — others recompute live.
