- InChI
- InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
- InChI Key
- IQOJTGSBENZIOL-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- CC(=O)Cc1ccco1
- Molecular Weight1
- 124.14
- CAS
- 6975-60-6
- Other Names
-
- 1-(2-furanyl)-2-propanone
- 2-furfuryl methyl ketone
- Furfuryl methyl ketone
- 1-(2-furyl)propan-2-one
- (Furyl-2)-1-propanone-2
- 2-furylacetone
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 1.411 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Inp | [919.00; 954.00] |
|
|
| Inp | 952.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | Outlier 919.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| I | [1482.00; 1548.00] |
|
|
| I | 1524.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1512.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1546.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1546.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1512.00 | NIST | |
| I | 1548.00 | NIST |
Similar Compounds
Find more compounds similar to 1-(2-furyl)-2-propanone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.