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Dodecanol
CAS: 112-53-8 | C12H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-53-8
Molecular Formula:
C12H26O
Molecular Mass:
186.34 g/mol
Names and Synonyms:
Dodecanol
1-Dodecanol
K 20
Kalcol 2098
C 1214N
Lipocol L
Nacol 12-99
Dodecyl alcohol
n-Dodecyl alcohol
Lauric alcohol
Laurinic alcohol
Lauryl 24
Lauryl alcohol
Sipol L 12
Pisol
Siponol L 2
Siponol L 5
Siponol 25
n-Dodecan-1-ol
Alfol 12
S 1298
1-Dodecyl alcohol
1-Hydroxydodecane
Kalcohl 20
NAA 42
Conol 20P
Lorol C 12
Adol 10
Adol 11
Adol 12
Conol 20PP
Kalcohl 2098
Hainol 12SS
Nacol 12-96
Epal 12
Lorol C 12/98
NSC 3724
Conol 1275
K 20 (alcohol)
Identifiers:
SMILES:
CCCCCCCCCCCCO
InChI:
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
Key Properties
Boiling Point
259 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
24 °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 | 186.34 g/mol | CAS Common Chemistry |
| 186.33899999999997 g/mol | RDKit | |
| 186.198365452 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8309 g/cm3 @ Temp: 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dodecanol | CAS Common Chemistry |
| Boiling Point | 259 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 58.92980000000006 | RDKit |
