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Heptaethylene Glycol Dodecyl Ether
CAS: 3055-97-8 | C26H54O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3055-97-8
Molecular Formula:
C26H54O8
Molecular Mass:
494.71 g/mol
Names and Synonyms:
Heptaethylene Glycol Dodecyl Ether
3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol
Ethanol, 2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-
Heptaethylene glycol, monododecyl ether
Heptaethyleneglycol monolauryl ether
Heptaethylene glycol dodecyl ether
Dodecanol heptaethoxy ether
AEO 7
C12E7
C12EO7
Heptaethylene glycol n-dodecyl ether
Mergital LT 7
Nikkol BL 7SY
Rhodasurf LA-7
Pingpingjia 7
LAE 7
2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
Key Properties
Melting Point
27.8-28.1 °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 | 494.71 g/mol | CAS Common Chemistry |
| 494.7100000000005 g/mol | RDKit | |
| 494.3818686879998 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWHIUNMOTRUVPG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27.8-28.1 °C | CAS Common Chemistry |
| Name | Heptaethylene glycol dodecyl ether | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 31 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.84000000000002 Ų | RDKit |
| LogP | 4.015800000000003 | RDKit |
| Molar Refractivity | 134.66280000000006 | RDKit |
