Back to Search
1-Tetracosanol
CAS: 506-51-4 | C24H50O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
506-51-4
Molecular Formula:
C24H50O
Molecular Mass:
354.66 g/mol
Names and Synonyms:
1-Tetracosanol
1-Tetracosanol
Lignoceryl alcohol
Lignoceric alcohol
Tetracosyl alcohol
Lignocerol
n-Tetracosanol
Tetracosanol
NSC 93768
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3
Key Properties
Boiling Point
230-235 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
76 °C
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 |
| 354.6630000000001 g/mol | RDKit | |
| 354.38616621999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Tetracosanol | CAS Common Chemistry |
| Boiling Point | 230-235 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYWMIZZBOVGFOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76 °C | CAS Common Chemistry |
| Name | 1-Tetracosanol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 8.580800000000004 | RDKit |
| Molar Refractivity | 114.3338000000001 | RDKit |
