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Molecule
3,6,9,12,15,18-Hexaoxatriacontan-1-Ol
CAS: 3055-96-7 · C24H50O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3055-96-7
- Molecular Formula
- C24H50O7
- Molecular Mass
- 450.66 g/mol
Identifiers
CAS Registry Number
3055-96-7
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI Key
OJCFEGKCRWEVSN-UHFFFAOYSA-N
InChI
InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3
Names and Synonyms
- 3,6,9,12,15,18-Hexaoxatriacontan-1-Ol Synonym
- 3,6,9,12,15,18-Hexaoxatriacontan-1-ol Synonym
- Dodecyl hexaoxyethylene glycol monoether Synonym
- Ethanol, 2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]- Synonym
- Hexaoxyethylene glycol monododecyl ether Synonym
- Hexaethylene glycol, monododecyl ether Synonym
- Dodecyl hexaoxyethylene monoether Synonym
- Hexaoxyethylene glycol dodecyl monoether Synonym
- Hexaethylene glycol dodecyl ether Synonym
- Hexaethylene glycol lauryl ether Synonym
- α-Hydroxy-ω-decylheptakis(oxyethylene) Synonym
- Hexaoxyethylene dodecyl monoether Synonym
- Hexaethylene glycol n-dodecyl ether Synonym
- Lauryl hexaethoxylate Synonym
- Hexaoxyethylene monododecyl ether Synonym
- Dodecyl hexaethylene glycol monoether Synonym
- DP 6 Synonym
- Dodecyl hexaoxyethylene ether Synonym
- α-Dodecyl-ω-hydroxyhexakis(oxyethylene) Synonym
- Hexaethylene glycol mono-n-dodecyl ether Synonym
- Hexaoxyethylene dodecyl ether Synonym
- C12E6 Synonym
- C12EO6 Synonym
- Hexakis(oxyethylene) monododecyl ether Synonym
- n-Dodecyl hexaoxyethylene glycol monoether Synonym
- DP 6 (alcohol) Synonym
- Nikkol BL 6SY Synonym
- Hexaethylene glycol monododecyl ether Synonym
- 2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 450.66 g/mol | CAS Common Chemistry |
| 450.6570000000004 g/mol | RDKit | |
| 450.657 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OJCFEGKCRWEVSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.8-25.1 °C | CAS Common Chemistry |
| Name | 3,6,9,12,15,18-Hexaoxatriacontan-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 28 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.61000000000001 Ų | RDKit |
| 75.61 Ų | RDKit | |
| LogP | 3.999200000000003 | RDKit |
| 3.9992 | RDKit | |
| Molar Refractivity | 123.84380000000012 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 450.35565393999985 g/mol | RDKit |
| Boiling Point | 210-215 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
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 |
|---|
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 = 450.66 g/mol. Edit any field — others recompute live.
