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Octaethylene Glycol Monododecyl Ether
CAS: 3055-98-9 | C28H58O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3055-98-9
Molecular Formula:
C28H58O9
Molecular Mass:
538.76 g/mol
Names and Synonyms:
Octaethylene Glycol Monododecyl Ether
3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol
Dodecyl octaethylene glycol ether
Ethanol, 2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-
Octaoxyethylene glycol monododecyl ether
Octaethylene glycol monododecyl ether
Octaoxyethylene dodecyl ether
Octaethylene glycol monolauryl ether
n-Dodecyl octaethylene glycol monoether
Dodecyl octaethylene glycol monoether
Octaethylene glycol dodecyl ether
Octaoxyethylene glycol dodecyl ether
Octaoxyethylene monododecyl ether
Octaethylene glycol mono(n-dodecyl)ether
α-Dodecyl-ω-hydroxyoctakis(oxyethylene)
C12E8
C12EO8
Octa(ethylene oxide) dodecyl ether
Octaethylene glycol lauryl ether
Empilan KBS 8
Anapoe C12E8
Octaoxyethylene lauryl ether
LAE 8
Slovasol 248
2-[2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
Key Properties
Melting Point
30.6-30.9 °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 | 538.76 g/mol | CAS Common Chemistry |
| 538.7630000000006 g/mol | RDKit | |
| 538.4080834359999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octaethylene_glycol_monododecyl_ether | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YYELLDKEOUKVIQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30.6-30.9 °C | CAS Common Chemistry |
| Name | C12E8 | CAS Common Chemistry |
| Octaethylene glycol monododecyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 34 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.07000000000002 Ų | RDKit |
| LogP | 4.032400000000004 | RDKit |
| Molar Refractivity | 145.4817999999999 | RDKit |
