Back to Search
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
Names and Synonyms:
Triethylene Glycol Monobutyl Ether
Dowanol TBAT
Triethylene glycol monobutyl ether
Triglycol monobutyl ether
3,6,9-Trioxatridecan-1-ol
Butyltriglycol
TEGBE
C4E3
BTG
NSC 164915
Butysenol 30
Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-
2-[2-(2-Butoxyethoxy)ethoxy]ethanol
Butoxytriethylene glycol
Butoxytriglycol
Koremul BE 3
Triethylene glycol mono-n-butyl ether
BDGE 30
2-[2-(2-Butoxyethoxy)ethoxy]ethan-1-ol
Butycenol 30
Identifiers:
SMILES:
CCCCOCCOCCOCCO
InChI:
InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
Key Properties
Boiling Point
278 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-35 °C
CAS Common Chemistry
Density
0.99 g/cm³
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 | 206.28 g/mol | CAS Common Chemistry |
| 206.28199999999995 g/mol | RDKit | |
| 206.151809184 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9890 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 278 °C @ Press: 760 Torr | 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 | RDKit |
