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Molecule
Triethylene Glycol Monododecyl Ether
CAS: 3055-94-5 · C18H38O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3055-94-5
- Molecular Formula
- C18H38O4
- Molecular Mass
- 318.50 g/mol
Identifiers
CAS Registry Number
3055-94-5
SMILES
CCCCCCCCCCCCOCCOCCOCCO
InChI Key
FKMHSNTVILORFA-UHFFFAOYSA-N
InChI
InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
Names and Synonyms
- Triethylene Glycol Monododecyl Ether Synonym
- Ethanol, 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]- Synonym
- 3,6,9-Trioxaheneicosan-1-ol Synonym
- 2-[2-[2-(Dodecyloxy)ethoxy]ethoxy]ethanol Synonym
- LEA Synonym
- Lauryl alcohol triglycol ether Synonym
- Triethylene glycol monododecyl ether Synonym
- n-Dodecyl triethylene glycol ether Synonym
- Lauryl triglycol ether Synonym
- Triethylene glycol dodecyl ether Synonym
- Dodecyl triethylene glycol Synonym
- Lauryl triethoxylate Synonym
- C12EO3 Synonym
- Tris(oxyethylene) dodecyl ether Synonym
- Triethylene glycol lauryl ether Synonym
- 2-[2-[2-(Dodecyloxy)ethoxy]ethanol Synonym
- Ethal 326 Synonym
- Laureth-3 Synonym
- Nikkol BL 3SY Synonym
- 2-[2-(2-Dodecoxyethoxy)ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.50 g/mol | CAS Common Chemistry |
| 318.49800000000005 g/mol | RDKit | |
| 318.498 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.950 g/cm3 @ 40 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FKMHSNTVILORFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16.5-17.0 °C | CAS Common Chemistry |
| Name | Triethylene glycol monododecyl ether | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 3.949400000000004 | RDKit |
| 3.9494 | RDKit | |
| Molar Refractivity | 91.38680000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 318.27700969599994 g/mol | RDKit |
| Boiling Point | 153 °C @ 0.035 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
External Resources
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Quick conversion
MW = 318.50 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
