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23452-05-3

23452-05-3 Structure

23452-05-3 Structure
IdentificationBack Directory
[Name]

alternariol monomethyl ether
[CAS]

23452-05-3
[Synonyms]

Djalonensone
ALTERNARIOLMETHYLETHER
Alternariol Impurity 1
ALTERNARIOL9METHYLETHER
Alternariol 5-O-Methyl Ether
Alternariol 4-O-methyl ether
Alternariol 9-Monomethyl Ether
3,7-Dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one
Alternariol monomethyl ether / Alternariol-9-methyl ether
3,7-Dihydroxy-9-methoxy-1-methyl-6H-dibenzo[b,d]pyran-6-one
6H-Dibenzo[b,d]pyran-6-one, 3,7-dihydroxy-9-methoxy-1-methyl-
[Molecular Formula]

C15H12O5
[MDL Number]

MFCD00058532
[MOL File]

23452-05-3.mol
[Molecular Weight]

272.25
Chemical PropertiesBack Directory
[Melting point ]

277-279 °C
[Boiling point ]

335.31°C (rough estimate)
[density ]

1.2066 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

-20°C
[solubility ]

Dichloromethane: soluble; Methanol: soluble
[form ]

neat
[pka]

7.00±0.20(Predicted)
[color ]

Off-white to light yellow
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
[InChIKey]

LCSDQFNUYFTXMT-UHFFFAOYSA-N
[SMILES]

COc1cc(O)c2C(=O)Oc3cc(O)cc(C)c3-c2c1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-43
[Safety Statements ]

36/37
[WGK Germany ]

3
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

Alternariol Monomethyl Ether is a mycotoxins found in subsistence farmed maize. Also, it is a natural mycotoxin isolated from the fermentation broth of Trichoderma sp. Jing-8 with phytotoxic, antibacterial and antioxidant activities. Also, it is derived from 3,5-Dimethoxyiodobenzene (D460640), which is an intermediate for the synthesis of glucuronide conjugates of trans-Resveratrol.
[Definition]

ChEBI: Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. It has a role as an antifungal agent, a fungal metabolite and a mycotoxin. It is a benzochromenone and an aromatic ether. It is functionally related to an alternariol.
[General Description]

Alternariol-9-methyl ether (AME) is a mycotoxin produced by fungus Alternaria and a major plant pathogen found in a wide variety of fruits and cereals products.
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