Back to Search
(±)-2-Dodecanol
CAS: 10203-28-8 | C12H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10203-28-8
Molecular Formula:
C12H26O
Molecular Mass:
186.34 g/mol
Names and Synonyms:
(±)-2-Dodecanol
2-Dodecanol
(RS)-2-Dodecanol
(±)-2-Dodecanol
NSC 86142
2-Lauryl alcohol
Identifiers:
SMILES:
CCCCCCCCCCC(C)O
InChI:
InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
Key Properties
Boiling Point
252 °C
CAS Common Chemistry
Melting Point
19 °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 | 186.34 g/mol | CAS Common Chemistry |
| 186.339 g/mol | RDKit | |
| 186.198365452 g/mol | RDKit | |
| Boiling Point | 252 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XSWSEQPWKOWORN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19 °C | CAS Common Chemistry |
| Name | (±)-2-Dodecanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.8980000000000037 | RDKit |
| Molar Refractivity | 58.90780000000006 | RDKit |
