- 2-COUMARANONE
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- $1.00 / 1PCS
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2026-01-30
- CAS:553-86-6
- Min. Order: 1PCS
- Purity: 99%
- Supply Ability: 10 mt
- 2-COUMARANONE USP/EP/BP
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- $1.10 / 1g
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2025-11-18
- CAS:553-86-6
- Min. Order: 1g
- Purity: 99.9%
- Supply Ability: 100 Tons min
- 2-Coumaranone
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- $5.00 / 1KG
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2025-05-26
- CAS:553-86-6
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 10000kg
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| | 2-COUMARANONE Chemical Properties |
| Melting point | 49-51 °C(lit.) | | Boiling point | 248-250 °C(lit.) | | density | 1,22 g/cm3 | | vapor pressure | 0.027-0.24Pa at 10-30℃ | | refractive index | 1.4800 (estimate) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | H2O: soluble3.8g/L at 30°C | | form | Crystalline Powder or Crystals | | color | White to yellow-orange | | Water Solubility | H2O: soluble 3.8g/L at30°C | | BRN | 114689 | | InChI | 1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2 | | InChIKey | ACZGCWSMSTYWDQ-UHFFFAOYSA-N | | SMILES | O=C1Cc2ccccc2O1 | | LogP | 1.347 | | Surface tension | 63.8mN/m at 1g/L and 20℃ | | CAS DataBase Reference | 553-86-6(CAS DataBase Reference) |
| | 2-COUMARANONE Usage And Synthesis |
| Description | 2-Coumaranone (also named as Isophthalide, 3H-benzofuran-2-one) belongs to a class of organic compounds named as benzofuranones which exhibits mutagenic and carcinogenic activity. 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland and as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.
| | Reference | Y. S. Priya, K. Ramachandra Rao, P. V. Chalapathi, M. Satyavani, A. Veeraiah, Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations, Journal of Molecular Structure, 2017, vol. 1144, pp. 535-544
| | Chemical Properties | WHITE TO LIGHT YELLOW CRYSTALLINE POWDER | | Uses | 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 47, p. 2491, 1982 DOI: 10.1021/jo00133a055 | | Synthesis | Preparation of 2-coumarone (I) comprises reacting cyclohexanone (II) with carboxyl-containing acylating agent (III) to methyl 2-(2-oxo-cyclohexyl)-2-hydroxy-acetate (IV) and optional dehydration to a mixture (V) of methyl 2-oxo-cyclohexylidene-acetate and the enol-lactone of the acid; or direct conversion of (I) to (V); and catalytic gas phase dehydrogenation of (IV) or (V) to (I).
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| | 2-COUMARANONE Preparation Products And Raw materials |
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