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Arachidyl Alcohol
CAS: 629-96-9 | C20H42O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-96-9
Molecular Formula:
C20H42O
Molecular Mass:
298.55 g/mol
Names and Synonyms:
Arachidyl Alcohol
1-Eicosanol
Eicosanol
Arachic alcohol
Arachidic alcohol
Eicosyl alcohol
Arachidyl alcohol
n-1-Eicosanol
n-Eicosanol
NSC 120887
Hainol 20SS
Nacol C 20
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
Key Properties
Boiling Point
369 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
72.5-73.0 °C
CAS Common Chemistry
Density
0.84 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 | 298.55 g/mol | CAS Common Chemistry |
| 298.55499999999995 g/mol | RDKit | |
| 298.323565964 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8405 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arachidyl_alcohol | CAS Common Chemistry |
| Boiling Point | 369 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BTFJIXJJCSYFAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72.5-73.0 °C | CAS Common Chemistry |
| Name | 1-Eicosanol | CAS Common Chemistry |
| Arachidyl alcohol | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 7.020400000000008 | RDKit |
| Molar Refractivity | 95.86580000000008 | RDKit |
