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Molecule
Triethylene Glycol Monomethyl Ether
CAS: 112-35-6 · C7H16O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-35-6
- Molecular Formula
- C7H16O4
- Molecular Mass
- 164.20 g/mol
Identifiers
CAS Registry Number
112-35-6
SMILES
COCCOCCOCCO
InChI Key
JLGLQAWTXXGVEM-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
Names and Synonyms
- Triethylene Glycol Monomethyl Ether Common Name
- Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]- Synonym
- 2-[2-(2-Methoxyethoxy)ethoxy]ethanol Synonym
- Dowanol TMAT Synonym
- Triethylene glycol monomethyl ether Synonym
- Triglycol monomethyl ether Synonym
- Methyltrioxitol Synonym
- 3,6,9-Trioxa-1-decanol Synonym
- 3,6,9-Trioxadecanol Synonym
- Methyltriglycol Synonym
- NSC 97395 Synonym
- Bikanol M 3 Synonym
- Hymol TM Synonym
- Monomethoxytriethylene glycol Synonym
- MTG Synonym
- 2-[2-(2-Methoxyethoxy)ethoxy]ethan-1-ol Synonym
- 2-(2-(2-Methoxyethoxy)ethoxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.201 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0494 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 249 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGLQAWTXXGVEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44 °C | CAS Common Chemistry |
| Name | Triethylene glycol monomethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | -0.34170000000000006 | RDKit |
| -0.3417 | RDKit | |
| Molar Refractivity | 40.59980000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 164.104858992 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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20
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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 = 164.20 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O4.
