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147885

4-Phenyl-3-buten-2-one

99%

Synonym(s):

Benzalacetone, Benzylideneacetone, Methyl styryl ketone

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About This Item

Linear Formula:
C6H5CH=CHCOCH3
CAS Number:
122-57-6
Molecular Weight:
146.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848836
EC Number:
204-555-1
Beilstein/REAXYS Number:
742047
MDL number:
MFCD00008779
Assay:
99%
Form:
solid
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vapor pressure

0.01 mmHg ( 25 °C)

Quality Segment

100

assay

99%

form

solid

bp

260-262 °C (lit.)

mp

39-42 °C (lit.)

solubility

alcohol: freely soluble, benzene: freely soluble, chloroform: freely soluble, diethyl ether: freely soluble, petroleum ether: very slightly soluble, water: very slightly soluble

SMILES string

[H]\C(=C(\[H])c1ccccc1)C(C)=O

InChI

1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChI key

BWHOZHOGCMHOBV-BQYQJAHWSA-N

General description

trans- 4-Phenyl-3-buten-2-one is substrate for glutathione transferase. It reacts with methyl- and benzylguanidine to yield aromatic N2-substituted 2-pyrimidinamines.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H317

Hazard Classifications

Skin Irrit. 2 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

253.4 °F - closed cup

flash_point_c

123 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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