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Molecule
2-Decyltetradecanol
CAS: 58670-89-6 · C24H50O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58670-89-6
- Molecular Formula
- C24H50O
- Molecular Mass
- 354.66 g/mol
Identifiers
CAS Registry Number
58670-89-6
SMILES
CCCCCCCCCCCCC(CO)CCCCCCCCCC
InChI Key
CAYHVMBQBLYQMT-UHFFFAOYSA-N
InChI
InChI=1S/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
Names and Synonyms
- 2-Decyltetradecanol Systematic Name
- 1-Tetradecanol, 2-decyl- Synonym
- NJCOL 240A Synonym
- Jarcol I 24 Synonym
- Risonol 24SP Synonym
- Decyltetradecyl alcohol Synonym
- Decyltetradecanol Synonym
- 2-Dodecyl-1-dodecanol Synonym
- 2-Decyl-1-tetradecanol Synonym
- 2-Decylmyristyl alcohol Synonym
- 2-Decyltetradecanol Synonym
- 2-Decyltetradecyl alcohol Synonym
- Isofol 24 Synonym
- Guerbet C24 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.66 g/mol | CAS Common Chemistry |
| 354.6630000000002 g/mol | RDKit | |
| 354.663 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8513 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(CCCCCCCCCC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CAYHVMBQBLYQMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Decyltetradecanol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 8.436700000000007 | RDKit |
| 8.4367 | RDKit | |
| Molar Refractivity | 114.2638000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 354.38616622 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 354.66 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
