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1-Tetradecanol
CAS: 112-72-1 | C14H30O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-72-1
Molecular Formula:
C14H30O
Molecular Mass:
214.39 g/mol
Names and Synonyms:
1-Tetradecanol
1-Tetradecanol
Tetradecanol
Lanette Wax KS
Loxanol V
Myristic alcohol
Myristyl alcohol
Tetradecyl alcohol
n-Tetradecyl alcohol
n-Tetradecanol
n-Tetradecan-1-ol
Lanette K
Alfol 14
1-Hydroxytetradecane
Kalcohl 40
1-Tetradecyl alcohol
Conol 1495
Adol 18
Kalcohl 4098
Nacol 14-95
Lanette 14
NSC 8549
Lorol C 14
Kalcol 4098
Hinol 14SS
Nacol 14-98
Speziol C 14 Pharma
Kolliwax MA
Hainol 14SS
Nafol 14
Identifiers:
SMILES:
CCCCCCCCCCCCCCO
InChI:
InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
Key Properties
Boiling Point
289 °C
CAS Common Chemistry
Melting Point
39.5 °C
CAS Common Chemistry
Density
0.82 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 | 214.39 g/mol | CAS Common Chemistry |
| 214.39299999999994 g/mol | RDKit | |
| 214.22966558 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8165 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Tetradecanol | CAS Common Chemistry |
| Boiling Point | 289 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLZKNKRTKFSKGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 39.5 °C | CAS Common Chemistry |
| Name | 1-Tetradecanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.679800000000005 | RDKit |
| Molar Refractivity | 68.16380000000005 | RDKit |
