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Molecule
Dodecanol
CAS: 112-53-8 · C12H26O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-53-8
- Molecular Formula
- C12H26O
- Molecular Mass
- 186.34 g/mol
Identifiers
CAS Registry Number
112-53-8
SMILES
CCCCCCCCCCCCO
InChI Key
LQZZUXJYWNFBMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
Names and Synonyms
- Dodecanol Common Name
- 1-Dodecanol Synonym
- K 20 Synonym
- Kalcol 2098 Synonym
- C 1214N Synonym
- Lipocol L Synonym
- Nacol 12-99 Synonym
- Dodecyl alcohol Synonym
- n-Dodecyl alcohol Synonym
- Lauric alcohol Synonym
- Laurinic alcohol Synonym
- Lauryl 24 Synonym
- Lauryl alcohol Synonym
- Sipol L 12 Synonym
- Pisol Synonym
- Siponol L 2 Synonym
- Siponol L 5 Synonym
- Siponol 25 Synonym
- n-Dodecan-1-ol Synonym
- Alfol 12 Synonym
- S 1298 Synonym
- 1-Dodecyl alcohol Synonym
- 1-Hydroxydodecane Synonym
- Kalcohl 20 Synonym
- NAA 42 Synonym
- Conol 20P Synonym
- Lorol C 12 Synonym
- Adol 10 Synonym
- Adol 11 Synonym
- Adol 12 Synonym
- Conol 20PP Synonym
- Kalcohl 2098 Synonym
- Hainol 12SS Synonym
- Nacol 12-96 Synonym
- Epal 12 Synonym
- Lorol C 12/98 Synonym
- NSC 3724 Synonym
- Conol 1275 Synonym
- K 20 (alcohol) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.34 g/mol | CAS Common Chemistry |
| 186.33899999999997 g/mol | RDKit | |
| 186.339 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8309 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dodecanol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LQZZUXJYWNFBMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24 °C | CAS Common Chemistry |
| Name | 1-Dodecanol | CAS Common Chemistry |
| Dodecanol | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.8996000000000035 | RDKit |
| 3.8996 | RDKit | |
| Molar Refractivity | 58.92980000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 186.198365452 g/mol | RDKit |
| Boiling Point | 259 °C @ 760 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 186.34 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H26O.
