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Molecule
Octaethylene Glycol Monododecyl Ether
CAS: 3055-98-9 · C28H58O9
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3055-98-9
- Molecular Formula
- C28H58O9
- Molecular Mass
- 538.76 g/mol
Identifiers
CAS Registry Number
3055-98-9
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
YYELLDKEOUKVIQ-UHFFFAOYSA-N
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
Names and Synonyms
- Octaethylene Glycol Monododecyl Ether Synonym
- 3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol Synonym
- Dodecyl octaethylene glycol ether Synonym
- Ethanol, 2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]- Synonym
- Octaoxyethylene glycol monododecyl ether Synonym
- Octaethylene glycol monododecyl ether Synonym
- Octaoxyethylene dodecyl ether Synonym
- Octaethylene glycol monolauryl ether Synonym
- n-Dodecyl octaethylene glycol monoether Synonym
- Dodecyl octaethylene glycol monoether Synonym
- Octaethylene glycol dodecyl ether Synonym
- Octaoxyethylene glycol dodecyl ether Synonym
- Octaoxyethylene monododecyl ether Synonym
- Octaethylene glycol mono(n-dodecyl)ether Synonym
- α-Dodecyl-ω-hydroxyoctakis(oxyethylene) Synonym
- C12E8 Synonym
- C12EO8 Synonym
- Octa(ethylene oxide) dodecyl ether Synonym
- Octaethylene glycol lauryl ether Synonym
- Empilan KBS 8 Synonym
- Anapoe C12E8 Synonym
- Octaoxyethylene lauryl ether Synonym
- LAE 8 Synonym
- Slovasol 248 Synonym
- 2-[2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 538.76 g/mol | CAS Common Chemistry |
| 538.7630000000006 g/mol | RDKit | |
| 538.763 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 |
| 94.07 Ų | RDKit | |
| LogP | 4.032400000000004 | RDKit |
| 4.0324 | RDKit | |
| Molar Refractivity | 145.4817999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 538.4080834359999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 538.76 g/mol. Edit any field — others recompute live.
