Back to Search
3-Decanol
CAS: 1565-81-7 | C10H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1565-81-7
Molecular Formula:
C10H22O
Molecular Mass:
158.29 g/mol
Names and Synonyms:
3-Decanol
3-Decanol
1-Ethyl-1-octanol
3-Hydroxydecane
dl-Decan-3-ol
(±)-3-Decanol
Identifiers:
SMILES:
CCCCCCCC(O)CC
InChI:
InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
Key Properties
Boiling Point
213 °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 | 158.29 g/mol | CAS Common Chemistry |
| 158.285 g/mol | RDKit | |
| 158.167065324 g/mol | RDKit | |
| Boiling Point | 213 °C | CAS Common Chemistry |
| Canonical SMILES | OC(CC)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ICEQLCZWZXUUIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Decanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.1178000000000017 | RDKit |
| Molar Refractivity | 49.67380000000003 | RDKit |
