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Molecule
Deg Monobutyl Ether
CAS: 112-34-5 · C8H18O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-34-5
- Molecular Formula
- C8H18O3
- Molecular Mass
- 162.23 g/mol
Identifiers
CAS Registry Number
112-34-5
SMILES
CCCCOCCOCCO
InChI Key
OAYXUHPQHDHDDZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
Names and Synonyms
- Deg Monobutyl Ether Common Name
- Ethanol, 2-(2-butoxyethoxy)- Synonym
- 2-(2-Butoxyethoxy)ethanol Synonym
- Butyl Carbitol Synonym
- O-Butyl diethylene glycol Synonym
- Butyl dioxitol Synonym
- Diethylene glycol n-butyl ether Synonym
- Diethylene glycol butyl ether Synonym
- Diethylene glycol monobutyl ether Synonym
- Diglycol monobutyl ether Synonym
- Dowanol DB Synonym
- Poly-Solv DB Synonym
- Butyl diglycol Synonym
- Butyl digol Synonym
- Butoxyethoxyethanol Synonym
- Butyl Oxitol glycol ether Synonym
- Diethylene glycol mono-n-butyl ether Synonym
- 3,6-Dioxa-1-decanol Synonym
- Ektasolve DB Synonym
- Butadigol Synonym
- Ethanol, 2,2′-oxybis-, monobutyl ether Synonym
- n-Butyl carbitol Synonym
- NBC (solvent) Synonym
- NBC Synonym
- BDG-NS Synonym
- K 50181 Synonym
- Butyl Diglysolv Synonym
- BDG Synonym
- NSC 407762 Synonym
- Hisolve DB Synonym
- Butysenol 20P Synonym
- Bikanol B 2 Synonym
- Circuposit 4125 Synonym
- BDGE 20 Synonym
- 2-(2-n-Butoxyethoxy)ethanol Synonym
- Butysenol 20 Synonym
- Butycenol 20P Synonym
- Glycol Ether DB Synonym
- Circuposit Hole Prep 4125 Synonym
- C 4E2 Synonym
- DB Synonym
- Circuposit 3304 Synonym
- Circuposit Hole Prep 3304 Synonym
- Sinopol BDG-LS Synonym
- 2-(2-Butoxyethoxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.23 g/mol | CAS Common Chemistry |
| 162.22899999999998 g/mol | RDKit | |
| 162.229 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9536 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DEG_monobutyl_ether | CAS Common Chemistry |
| Boiling Point | 230.4 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OAYXUHPQHDHDDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -68.1 °C | CAS Common Chemistry |
| Name | Diethylene glycol monobutyl ether | CAS Common Chemistry |
| DEG monobutyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.812 | RDKit |
| Molar Refractivity | 43.63180000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 162.125594436 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 162.23 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O3.
