- InChI
- InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
- InChI Key
- FUWUEFKEXZQKKA-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(C)c1cccc(O)c(=O)c1
- Molecular Weight1
- 164.20
- CAS
- 499-44-5
- Other Names
-
- beta-Isopropyltropolone
- 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-
- «beta»-Isopropyltropolon
- «beta»-Thujaplicin
- «beta»-Thujaplicine
- Hinokitiol
- 4-Isopropyltropolone
- 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one
- Hinokitol
- Tropolone, 4-isopropyl-
- Thujaplicin, «beta»
- NSC 18804
- 2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- 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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -5309.50 | kJ/mol | NIST |
| ΔfH°solid | -340.60 ± 3.80 | kJ/mol | NIST |
| log10WS | -1.63 | Crippen Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Inp | [1559.00; 1559.00] |
|
|
| Inp | 1559.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1559.00 | NIST |
Similar Compounds
Find more compounds similar to 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-.
Sources
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