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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
Names and Synonyms:
Triethylene Glycol Monododecyl Ether
Ethanol, 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]-
3,6,9-Trioxaheneicosan-1-ol
2-[2-[2-(Dodecyloxy)ethoxy]ethoxy]ethanol
LEA
Lauryl alcohol triglycol ether
Triethylene glycol monododecyl ether
n-Dodecyl triethylene glycol ether
Lauryl triglycol ether
Triethylene glycol dodecyl ether
Dodecyl triethylene glycol
Lauryl triethoxylate
C12EO3
Tris(oxyethylene) dodecyl ether
Triethylene glycol lauryl ether
2-[2-[2-(Dodecyloxy)ethoxy]ethanol
Ethal 326
Laureth-3
Nikkol BL 3SY
2-[2-(2-Dodecoxyethoxy)ethoxy]ethanol
Identifiers:
SMILES:
CCCCCCCCCCCCOCCOCCOCCO
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
Key Properties
Boiling Point
153 °C @ Press: 0.035 Torr
CAS Common Chemistry
Melting Point
16.5-17.0 °C
CAS Common Chemistry
Density
0.95 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 | 318.50 g/mol | CAS Common Chemistry |
| 318.49800000000005 g/mol | RDKit | |
| 318.27700969599994 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.950 g/cm3 @ Temp: 40 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C @ Press: 0.035 Torr | 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 |
| Molar Refractivity | 91.38680000000008 | RDKit |
