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Molecule
2-(2-Methoxyethoxy)Ethanol
CAS: 111-77-3 · C5H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-77-3
- Molecular Formula
- C5H12O3
- Molecular Mass
- 120.15 g/mol
Identifiers
CAS Registry Number
111-77-3
SMILES
COCCOCCO
InChI Key
SBASXUCJHJRPEV-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
Names and Synonyms
- 2-(2-Methoxyethoxy)Ethanol Systematic Name
- Poly-Solv DM Synonym
- Ethanol, 2-(2-methoxyethoxy)- Synonym
- 2-(2-Methoxyethoxy)ethanol Synonym
- Diethylene glycol methyl ether Synonym
- Diethylene glycol monomethyl ether Synonym
- Diglycol monomethyl ether Synonym
- Dowanol DM Synonym
- β-Methoxy-β′-hydroxydiethyl ether Synonym
- Methyl Carbitol Synonym
- Methyl Dioxitol Synonym
- Methyl digol Synonym
- 3,6-Dioxa-1-heptanol Synonym
- Ektasolve DM Synonym
- Hicotol CAR Synonym
- Ethanol, 2,2′-oxybis-, monomethyl ether Synonym
- 2-(2′-Methoxyethoxy)ethanol Synonym
- Methyldiethylene glycol Synonym
- 2-(2-Methoxyethoxy)ethan-1-ol Synonym
- NSC 2261 Synonym
- MDG Synonym
- Bikanol M 2 Synonym
- Hisolve DM Synonym
- 2-Hydroxyethyl 2-methoxyethyl ether Synonym
- M 0537 Synonym
- Methoxydiethylene glycol Synonym
- Nycosol 13 Synonym
- Transcultol P Synonym
- 2-(2-Methoxyethoxy) methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.15 g/mol | CAS Common Chemistry |
| 120.148 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.035 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-(2-Methoxyethoxy)ethanol | CAS Common Chemistry |
| Boiling Point | 193 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBASXUCJHJRPEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-84 °C | CAS Common Chemistry |
| Name | Diethylene glycol monomethyl ether | CAS Common Chemistry |
| 2-(2-Methoxyethoxy)ethanol | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | -0.3583 | RDKit |
| Molar Refractivity | 29.780799999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 120.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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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.
External Resources
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MW = 120.15 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O3.
