6748-68-1

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6748-68-1 Structure

Identification	Back 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 Properties	Back 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 Data	Back 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 Products	Back Directory
[Raw materials] Hydrochloric acid-->Ethyl acetate-->Dichloromethane-->PETROLEUM ETHER-->Sodium sulfate-->Acetic anhydride-->Sodium chloride-->Aluminum chloride-->7-Hydroxycoumarin

Hazard Information	Back 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 Detail	Back Directory
[Spectrum Detail] 8-ACETYL-7-HYDROXYCOUMARIN(6748-68-1)¹HNMR

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