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3904-18-5

3904-18-5 Structure

3904-18-5 Structure
IdentificationBack Directory
[Name]

2,4,5-TRIMETHOXYLPRORIOPHENONE
[CAS]

3904-18-5
[Synonyms]

isoacoramone
Asarone Impurity 1
2,4,5-TRIMETHOXYLPRORIOPHENONE
2,4,5-TRIMETHOXYLPROPRIOPHENONE
1-(2,4,5-TRIMETHOXYPHENYL)PROPAN-1-ONE
1-Propanone, 1-(2,4,5-trimethoxyphenyl)-
[Molecular Formula]

C12H16O4
[MOL File]

3904-18-5.mol
[Molecular Weight]

224.25
Chemical PropertiesBack Directory
[Melting point ]

108.5-109.5 °C
[Boiling point ]

342.4±37.0 °C(Predicted)
[density ]

1.070±0.06 g/cm3(Predicted)
[InChI]

InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
[InChIKey]

KUQHFNICKXWOBZ-UHFFFAOYSA-N
[SMILES]

C(C1=CC(OC)=C(OC)C=C1OC)(=O)CC
Hazard InformationBack Directory
[Definition]

ChEBI: Isoacoramone is an aromatic ketone.
[Preparation]

Preparation from 1,2,4-trimethoxybenzene by reaction,
with propionic anhydride catalyzed either by iodine or aluminium chloride;
with propionyl chloride in the presence of aluminium chloride in methylene chloride at 10° for 1 h (80%)or in carbon disulfide (67%).
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