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Deg Monobutyl Ether
CAS: 112-34-5 | C8H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-34-5
Molecular Formula:
C8H18O3
Molecular Weight:
162.22899999999998 g/mol
Names and Synonyms:
Deg Monobutyl Ether
2-(2-Butoxyethoxy)ethan-1-ol
Sinopol BDG-LS
Circuposit Hole Prep 3304
Circuposit 3304
DB
C 4E2
Circuposit Hole Prep 4125
Glycol Ether DB
Butycenol 20P
Butysenol 20
2-(2-n-Butoxyethoxy)ethanol
BDGE 20
Circuposit 4125
Bikanol B 2
Butysenol 20P
Hisolve DB
NSC 407762
BDG
Butyl Diglysolv
K 50181
BDG-NS
NBC
NBC (solvent)
n-Butyl carbitol
Ethanol, 2,2′-oxybis-, monobutyl ether
Butadigol
Ektasolve DB
3,6-Dioxa-1-decanol
Diethylene glycol mono-n-butyl ether
Butyl Oxitol glycol ether
Butoxyethoxyethanol
Butyl digol
Butyl diglycol
Poly-Solv DB
Dowanol DB
Diglycol monobutyl ether
Diethylene glycol monobutyl ether
Diethylene glycol butyl ether
Diethylene glycol n-butyl ether
Butyl dioxitol
O-Butyl diethylene glycol
Butyl Carbitol
2-(2-Butoxyethoxy)ethanol
Ethanol, 2-(2-butoxyethoxy)-
Identifiers:
SMILES:
CCCCOCCOCCO
InChI:
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 162.23 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/DEG_monobutyl_ether None | Legacy Database |
| cas-boiling-point | 230.4 °C None | Legacy Database |
| cas-canonical-smile | OCCOCCOCCCC None | Legacy Database |
| cas-density | 0.9536 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OAYXUHPQHDHDDZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -68.1 °C None | Legacy Database |
| cas-name | Diethylene glycol monobutyl ether None | Legacy Database |
| wikipedia-name | DEG monobutyl ether None | Legacy Database |
| LogP | 0.812 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 162.22899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 162.125594436 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.63180000000001 | RDKit |
