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2-Decyltetradecanol
CAS: 58670-89-6 | C24H50O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58670-89-6
Molecular Formula:
C24H50O
Molecular Mass:
354.66 g/mol
Names and Synonyms:
2-Decyltetradecanol
1-Tetradecanol, 2-decyl-
NJCOL 240A
Jarcol I 24
Risonol 24SP
Decyltetradecyl alcohol
Decyltetradecanol
2-Dodecyl-1-dodecanol
2-Decyl-1-tetradecanol
2-Decylmyristyl alcohol
2-Decyltetradecanol
2-Decyltetradecyl alcohol
Isofol 24
Guerbet C24
Identifiers:
SMILES:
CCCCCCCCCCCCC(CO)CCCCCCCCCC
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
Key Properties
Boiling Point
250 °C
CAS Common Chemistry
Density
0.85 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 | 354.66 g/mol | CAS Common Chemistry |
| 354.6630000000002 g/mol | RDKit | |
| 354.38616622 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8513 g/cm3 @ Temp: 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 |
| Molar Refractivity | 114.2638000000001 | RDKit |
