| Identification | Back Directory | [Name]
2,2-Dimethyl-6-acetyl-2H-1-benzopyran | [CAS]
19013-07-1 | [Synonyms]
Demethoxyencecalin
Desmethoxyencecalin
2,2-diMethyl-2H-chroMene
6-Acetyl-2,2-dimethyl-3-chromene
1-(2,2-dimethylchromen-6-yl)ethanone
2,2-Dimethyl-6-acetyl-2H-1-benzopyran
6-Acetyl-2,2-dimethyl-2H-1-benzopyran
1-(2,2-Dimethyl-2H-chromen-6-yl)-ethanone
1-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-ethanone
Ethanone, 1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-
Methyl(2,2-dimethyl-2H-1-benzopyran-6-yl) ketone
1-(2,2-DIMETHYL-2H-CHROMEN-6-YL)-ETHANONE(RS20011995) | [Molecular Formula]
C13H14O2 | [MDL Number]
MFCD06200746 | [MOL File]
19013-07-1.mol | [Molecular Weight]
202.25 |
| Chemical Properties | Back Directory | [Boiling point ]
329.8±42.0 °C(Predicted) | [density ]
1.061±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [form ]
Off-white to yellowish solid. | [color ]
Yellow to brown | [InChI]
InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3 | [InChIKey]
ZAJTXVHECZCXLH-UHFFFAOYSA-N | [SMILES]
C(=O)(C1C=C2C(=CC=1)OC(C)(C)C=C2)C |
| Hazard Information | Back Directory | [Uses]
Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1]. | [Definition]
ChEBI: 6-Acetyl-2,2-dimethyl-2H-1-benzopyran is a 1-benzopyran. | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 32, p. 219, 1995 DOI: 10.1002/jhet.5570320136
Synthesis, p. 144, 1979 DOI: 10.1055/s-1979-28595 | [storage]
Store at -20°C | [References]
[1] Prats E, et al. Antifungal activity of a new phenolic compound from capitulum of a head rot-resistant sunflower genotype. J Chem Ecol.?2007 Dec;33(12):2245-53. Epub 2007 Nov 22. DOI:10.1007/s10886-007-9388-9 |
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