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Molecule
Diethylene Glycol Monobutyl Ether Acetate
CAS: 124-17-4 · C10H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-17-4
- Molecular Formula
- C10H20O4
- Molecular Mass
- 204.27 g/mol
Identifiers
CAS Registry Number
124-17-4
SMILES
CCCCOCCOCCOC(C)=O
InChI Key
VXQBJTKSVGFQOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
Names and Synonyms
- Diethylene Glycol Monobutyl Ether Acetate Common Name
- Ethanol, 2-(2-butoxyethoxy)-, 1-acetate Synonym
- Ethanol, 2-(2-butoxyethoxy)-, acetate Synonym
- 2-(2-Butoxyethoxy)ethyl acetate Synonym
- Butyl carbitol acetate Synonym
- Diethylene glycol monobutyl ether acetate Synonym
- Diglycol monobutyl ether acetate Synonym
- Diethylene glycol butyl ether acetate Synonym
- Butyl diethylene glycol acetate Synonym
- Butoxyethoxyethyl acetate Synonym
- Hykleen 340 Synonym
- DE Acetate Synonym
- 2-(2-n-Butoxyethoxy)ethyl acetate Synonym
- Butyl diglycol acetate Synonym
- Butasol V Synonym
- NSC 5175 Synonym
- NSC 6570 Synonym
- Diethylene glycol monobutyl acetate Synonym
- 2-(2-Butoxyethoxy)ethanol acetate Synonym
- ABG Synonym
- Diethylene glycol mono-n-butyl ether acetate Synonym
- Diethylene glycol n-butyl ether acetate Synonym
- CELTOL BDGAC Synonym
- Butysenol 20 acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.27 g/mol | CAS Common Chemistry |
| 204.26599999999996 g/mol | RDKit | |
| 204.266 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.985 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCOCCOCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VXQBJTKSVGFQOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -32 °C | CAS Common Chemistry |
| Name | Diethylene glycol monobutyl ether acetate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 1.3828 | RDKit |
| Molar Refractivity | 53.179000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 204.13615912 g/mol | RDKit |
| Boiling Point | 245 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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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MW = 204.27 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O4.
