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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
Names and Synonyms:
Diethylene Glycol Monobutyl Ether Acetate
Ethanol, 2-(2-butoxyethoxy)-, 1-acetate
Ethanol, 2-(2-butoxyethoxy)-, acetate
2-(2-Butoxyethoxy)ethyl acetate
Butyl carbitol acetate
Diethylene glycol monobutyl ether acetate
Diglycol monobutyl ether acetate
Diethylene glycol butyl ether acetate
Butyl diethylene glycol acetate
Butoxyethoxyethyl acetate
Hykleen 340
DE Acetate
2-(2-n-Butoxyethoxy)ethyl acetate
Butyl diglycol acetate
Butasol V
NSC 5175
NSC 6570
Diethylene glycol monobutyl acetate
2-(2-Butoxyethoxy)ethanol acetate
ABG
Diethylene glycol mono-n-butyl ether acetate
Diethylene glycol n-butyl ether acetate
CELTOL BDGAC
Butysenol 20 acetate
Identifiers:
SMILES:
CCCCOCCOCCOC(C)=O
InChI:
InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
Key Properties
Boiling Point
245 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-32 °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 | 204.27 g/mol | CAS Common Chemistry |
| 204.26599999999996 g/mol | RDKit | |
| 204.13615912 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.985 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 245 °C @ Press: 760 Torr | 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 |
| LogP | 1.3828 | RDKit |
| Molar Refractivity | 53.179000000000045 | RDKit |
