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Molecule
Axona
CAS: 538-23-8 · C27H50O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 538-23-8
- Molecular Formula
- C27H50O6
- Molecular Mass
- 470.69 g/mol
Identifiers
CAS Registry Number
538-23-8
SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI Key
VLPFTAMPNXLGLX-UHFFFAOYSA-N
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
Names and Synonyms
- Axona Synonym
- Paester 9306 Synonym
- Hexalan Synonym
- Poem M 2 Synonym
- Hest TC Synonym
- Tricaprilin Synonym
- Emalex KTG Synonym
- Delios 888 Synonym
- Caprylic triglyceride Synonym
- Myritol 888 Synonym
- Miglyol 808 Synonym
- Stelliesters 55/45 Synonym
- Stelliesters MCT 55/45 Synonym
- 2,3-Di(octanoyloxy)propyl octanoate Synonym
- CER 0001 Synonym
- Propane-1,2,3-triyl trioctanoate Synonym
- Octanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester Synonym
- Octanoin, tri- Synonym
- Octanoic acid, 1,2,3-propanetriyl ester Synonym
- Tricaprylin Synonym
- Trioctanoin Synonym
- RATO Synonym
- Tricaprylic glyceride Synonym
- Glyceryl trioctanoate Synonym
- Glycerol tricaprylate Synonym
- Glycerol trioctanoate Synonym
- Octanoic acid triglyceride Synonym
- Trioctanoylglycerol Synonym
- Caprylic acid triglyceride Synonym
- Glycerin tricaprylate Synonym
- Tricaprylyl glycerin Synonym
- Tricapryloylglycerol Synonym
- Panacet 800 Synonym
- Glyceryl tricaprylate Synonym
- Glycerin trioctanoate Synonym
- Sefsol 810 Synonym
- Trioctanoylglyceride Synonym
- Captex 8000 Synonym
- NI 01 Synonym
- Coconad RK Synonym
- Rilanit GTC Synonym
- Trivent OCG Synonym
- NSC 4059 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 470.69 g/mol | CAS Common Chemistry |
| 470.6910000000005 g/mol | RDKit | |
| 470.691 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.954 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Axona | CAS Common Chemistry |
| Boiling Point | 233 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VLPFTAMPNXLGLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | Tricaprylin | CAS Common Chemistry |
| Axona | CAS Common Chemistry | |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 23 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.9 Ų | RDKit |
| LogP | 7.066100000000009 | RDKit |
| 7.0661 | RDKit | |
| Molar Refractivity | 131.92600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 470.36073931999994 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 = 470.69 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
