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Molecule
2-Butoxyethanol Acetate
CAS: 112-07-2 · C8H16O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-07-2
- Molecular Formula
- C8H16O3
- Molecular Mass
- 160.21 g/mol
Identifiers
CAS Registry Number
112-07-2
SMILES
CCCCOCCOC(C)=O
InChI Key
NQBXSWAWVZHKBZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
Names and Synonyms
- 2-Butoxyethanol Acetate Systematic Name
- Ethanol, 2-butoxy-, 1-acetate Synonym
- Ethanol, 2-butoxy-, acetate Synonym
- Butyl cellosolve acetate Synonym
- Ethylene glycol monobutyl ether acetate Synonym
- Glycol monobutyl ether acetate Synonym
- 2-Butoxyethyl acetate Synonym
- Butoxyethyl acetate Synonym
- Butyl glycol acetate Synonym
- Ethylene glycol butyl ether acetate Synonym
- Dowanol EB acetate Synonym
- BCA Synonym
- EB Acetate Synonym
- Ethylene glycol acetate monobutyl ether Synonym
- B 0700 Synonym
- BMGAC Synonym
- Ethylene glycol n-butyl ether acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.21 g/mol | CAS Common Chemistry |
| 160.213 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9422 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Butoxyethanol_acetate | CAS Common Chemistry |
| Boiling Point | 192.3 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NQBXSWAWVZHKBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -64 °C | CAS Common Chemistry |
| Name | Glycol monobutyl ether acetate | CAS Common Chemistry |
| 2-Butoxyethanol acetate | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.3662 | RDKit |
| Molar Refractivity | 42.360000000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 160.109944372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 160.21 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O3.
