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6748-68-1

6748-68-1 Structure

6748-68-1 Structure
IdentificationBack Directory
[Name]

8-ACETYL-7-HYDROXYCOUMARIN
[CAS]

6748-68-1
[Synonyms]

ACETYL HYDROXYCOUMARIN
8-ACETYL-7-HYDROXYCOUMARIN
8-Acetyl-7-hydrocycoumarin
7-Hydroxy-8-acetyl coumarin
ACETYL-7-HYDROXYCOUMARIN, 8-
8-Acetyl-7-hydroxycoumarin 97%
8-acetyl-7-hydroxychromen-2-one
2H-1-Benzopyran-2-one, 8-acetyl-7-hydroxy-
8-ACETYL-7-HYDROXYCOUMARIN ISO 9001:2015 REACH
8Acetyl7Hydroxycoumarin,8 Acetyl 7 Hydroxycoumarin
[Molecular Formula]

C11H8O4
[MDL Number]

MFCD00270162
[MOL File]

6748-68-1.mol
[Molecular Weight]

204.18
Chemical PropertiesBack Directory
[Melting point ]

167-171 °C(lit.)
[Boiling point ]

427.3±45.0 °C(Predicted)
[density ]

1.388±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

8.10±0.20(Predicted)
[InChI]

1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3
[InChIKey]

XWYMACPLPPQCHC-UHFFFAOYSA-N
[SMILES]

CC(=O)c1c(O)ccc2C=CC(=O)Oc12
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2932209090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Dichloromethane-->PETROLEUM ETHER-->Sodium sulfate-->Acetic anhydride-->Sodium chloride-->Aluminum chloride-->7-Hydroxycoumarin
Hazard InformationBack Directory
[Uses]

8-Acetyl-7-hydroxycoumarin is a coumarin-like compound found in Mexican patchouli (Tagetes lucida) that has anti-bacterial and anti-fungal activities[1].
[References]

[1] Céspedes C L, et al. Antifungal and antibacterial activities of Mexican tarragon (Tagetes lucida)[J]. Journal of agricultural and food chemistry, 2006, 54(10): 3521-3527. DOI:10.1021/jf053071w
Spectrum DetailBack Directory
[Spectrum Detail]

8-ACETYL-7-HYDROXYCOUMARIN(6748-68-1)1HNMR
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