Benzalacetone

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For Research Use Only.

Category

Impurities

Cat.No.

NP2918

CAS

122-57-6

Product Name

Benzalacetone

Structure

Product Details

Description

One of the impurities of Warfarin, which is a kind of Coumarin anticoagulant.

Synonyms

4-Phenyl-3-buten-2-one; 3-Buten-2-one, 4-phenyl-; 2-Butenone, 4-phenyl-; 1-Phenyl-1-buten-3-one; 2-Phenylethenyl Methyl Ketone; 2-Phenylvinyl Methyl Ketone; 4-Phenyl-3-buten-2-one; 4-Phenyl-3-butene-2-one; 4-Phenylbutenone; Acetocinnamone; Methyl 2-Phenylvinyl Ketone; Methyl Phenylvinyl Ketone; Methyl Styryl Ketone; Methyl β-Styryl Ketone; NSC 5605; Styryl Methyl Ketone; Warfarin EP Impurity C; Benzylideneacetone

IUPAC Name

4-phenylbut-3-en-2-one

Molecular Weight

146.19

Molecular Formula

C10H10O

Canonical SMILES

O=C(C=CC=1C=CC=CC1)C

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

BWHOZHOGCMHOBV-UHFFFAOYSA-N

Boiling Point

261°C

Melting Point

37-42°C

Purity

98.0%

Density

1.014±0.06 g/cm3

Solubility

Soluble in Chloroform (Slightly), Methanol (Slightly)

Appearance

Pale Yellow to Yellow Low-melting Solid

Storage

Store at 2-8°C under inert atmosphere

Form

Powder

MDL

MFCD00008779

Vapor Pressure

0.009 [mmHg]

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