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Molecule
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
Identifiers
CAS Registry Number
629-96-9
SMILES
CCCCCCCCCCCCCCCCCCCCO
InChI Key
BTFJIXJJCSYFAL-UHFFFAOYSA-N
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
Names and Synonyms
- Arachidyl Alcohol Synonym
- 1-Eicosanol Synonym
- Eicosanol Synonym
- Arachic alcohol Synonym
- Arachidic alcohol Synonym
- Eicosyl alcohol Synonym
- Arachidyl alcohol Synonym
- n-1-Eicosanol Synonym
- n-Eicosanol Synonym
- NSC 120887 Synonym
- Hainol 20SS Synonym
- Nacol C 20 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.55 g/mol | CAS Common Chemistry |
| 298.55499999999995 g/mol | RDKit | |
| 298.555 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8405 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arachidyl_alcohol | 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 |
| 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 |
| 7.0204 | RDKit | |
| Molar Refractivity | 95.86580000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.323565964 g/mol | RDKit |
| Boiling Point | 369 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 298.55 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
