Benzalacetone - CAS 122-57-6

Catalog:	BB005427
Product Name:	Benzalacetone
CAS:	122-57-6
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

Benzalacetone

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Computed Properties

Related CAS:	1896-62-4 (trans-isomer)
IUPAC Name:	4-phenylbut-3-en-2-one
Description:	One of the impurities of Warfarin, which is a kind of Coumarin anticoagulant.
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
InChI Key:	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
MDL:	MFCD00008779
LogP:	2.28880
Vapor Pressure:	0.009 [mmHg]

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