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Molecule
Triethylene Glycol Monobutyl Ether
CAS: 143-22-6 · C10H22O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 143-22-6
- Molecular Formula
- C10H22O4
- Molecular Mass
- 206.28 g/mol
Identifiers
CAS Registry Number
143-22-6
SMILES
CCCCOCCOCCOCCO
InChI Key
COBPKKZHLDDMTB-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
Names and Synonyms
- Triethylene Glycol Monobutyl Ether Common Name
- Dowanol TBAT Synonym
- Triethylene glycol monobutyl ether Synonym
- Triglycol monobutyl ether Synonym
- 3,6,9-Trioxatridecan-1-ol Synonym
- Butyltriglycol Synonym
- TEGBE Synonym
- C4E3 Synonym
- BTG Synonym
- NSC 164915 Synonym
- Butysenol 30 Synonym
- Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]- Synonym
- 2-[2-(2-Butoxyethoxy)ethoxy]ethanol Synonym
- Butoxytriethylene glycol Synonym
- Butoxytriglycol Synonym
- Koremul BE 3 Synonym
- Triethylene glycol mono-n-butyl ether Synonym
- BDGE 30 Synonym
- 2-[2-(2-Butoxyethoxy)ethoxy]ethan-1-ol Synonym
- Butycenol 30 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.28 g/mol | CAS Common Chemistry |
| 206.28199999999995 g/mol | RDKit | |
| 206.282 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9890 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCOCCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=COBPKKZHLDDMTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35 °C | CAS Common Chemistry |
| Name | Triethylene glycol monobutyl ether | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 0.8286 | RDKit |
| Molar Refractivity | 54.450800000000044 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.151809184 g/mol | RDKit |
| Boiling Point | 278 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 206.28 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O4.
