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1-Decanol
CAS: 112-30-1 | C10H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-30-1
Molecular Formula:
C10H22O
Molecular Mass:
158.29 g/mol
Names and Synonyms:
1-Decanol
1-Decanol
Decyl alcohol
Capric alcohol
Caprinic alcohol
n-Decyl alcohol
Nonylcarbinol
Sipol L 10
Alfol 10
T 148
n-Decanol
Decanol
Antak
Epal 10
1-Hydroxydecane
Royaltac
Kalcohl 10H
Conol 10N
Nacol 10-99
Kalcohl 1098
Nacol 10
Nafol 10
NSC 406313
Kalcol 1098
Nafol 10D
Kalcohl 10
Conol 1098
Lorol C 10-98
Capryl alcohol
Lorol C 10
Identifiers:
SMILES:
CCCCCCCCCCO
InChI:
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Key Properties
Boiling Point
232.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
6.4 °C
CAS Common Chemistry
Density
0.83 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 | 158.29 g/mol | CAS Common Chemistry |
| 158.285 g/mol | RDKit | |
| 158.167065324 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8297 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Decanol | CAS Common Chemistry |
| Boiling Point | 232.9 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWKFXSUHUHTGQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.4 °C | CAS Common Chemistry |
| Name | 1-Decanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.119400000000002 | RDKit |
| Molar Refractivity | 49.69580000000003 | RDKit |
