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Molecule
Methylethyl Ketone Oxime
CAS: 96-29-7 · C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 96-29-7
- Molecular Formula
- C4H9NO
- Molecular Mass
- 87.12 g/mol
Identifiers
CAS Registry Number
96-29-7
SMILES
CCC(C)=NO
InChI Key
WHIVNJATOVLWBW-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
Names and Synonyms
- Methylethyl Ketone Oxime Common Name
- 2-Butanone, oxime Synonym
- Methyl ethyl ketoxime Synonym
- MEK-oxime Synonym
- Ethyl methyl ketoxime Synonym
- Methyl ethyl ketone oxime Synonym
- Ethyl methyl ketone oxime Synonym
- 2-Butoxime Synonym
- Aron M 1 Synonym
- Exkin II Synonym
- Exkin 2 Synonym
- Mekor 70 Synonym
- NSC 442 Synonym
- NSC 65465 Synonym
- Troykyd AntiSkin B Synonym
- Hiaron M 1 Synonym
- Borchinox M 2 Synonym
- KL 841 Synonym
- Butoxime Synonym
- MSDS Synonym
- Skino 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.12 g/mol | CAS Common Chemistry |
| 87.12199999999999 g/mol | RDKit | |
| 87.122 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9232 g/cm3 @ 80 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylethyl_ketone_oxime | CAS Common Chemistry |
| Boiling Point | 152.5 °C | CAS Common Chemistry |
| Canonical SMILES | ON=C(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WHIVNJATOVLWBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -29.5 °C | CAS Common Chemistry |
| Name | Methyl ethyl ketoxime | CAS Common Chemistry |
| Methylethyl ketone oxime | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.2465 | RDKit |
| Molar Refractivity | 25.18649999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 87.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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40
20
0 ppm
| 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 = 87.12 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO.
