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Molecule
2-Nonanol
CAS: 628-99-9 · C9H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 628-99-9
- Molecular Formula
- C9H20O
- Molecular Mass
- 144.26 g/mol
Identifiers
CAS Registry Number
628-99-9
SMILES
CCCCCCCC(C)O
InChI Key
NGDNVOAEIVQRFH-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
Names and Synonyms
- 2-Nonanol Synonym
- 2-Nonanol Synonym
- 1-Methyl-1-octanol Synonym
- DL-Nonan-2-ol Synonym
- (±)-2-Nonanol Synonym
- NSC 9481 Synonym
- 2-Hydroxynonane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.26 g/mol | CAS Common Chemistry |
| 144.258 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8399 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Nonanol | CAS Common Chemistry |
| Boiling Point | 193.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NGDNVOAEIVQRFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.5 °C | CAS Common Chemistry |
| Name | (±)-2-Nonanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.727700000000002 | RDKit |
| 2.7277 | RDKit | |
| Molar Refractivity | 45.05680000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.15141526 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 144.26 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20O.
