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147885

4-Phenyl-3-buten-2-one

Name: 4-Phenyl-3-buten-2-one
Brand: ALDRICH

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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Properties

vapor pressure

0.01 mmHg ( 25 °C)

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H317

pcodes

P261 - P264 - P272 - P280 - P302 + P352 - P333 + P313

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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Dihydropyrimidines and related structures. I. N²-substituted 2-pyrimidinamines and dihydro-2-pyrimidinamines by reaction of phenylbutenones and monosubstituted guanidines.

Winfried W and Schermanz K.

Journal of Heterocyclic Chemistry, 21(1), 65-69 (1984)

Glutathione S-transferases. The first enzymatic step in mercapturic acid formation.

W H Habig et al.

The Journal of biological chemistry, 249(22), 7130-7139 (1974-11-25)

Benzylideneacetone, an immunosuppressant, enhances virulence of Bacillus thuringiensis against beet armyworm (Lepidoptera: Noctuidae).

Bowon Kwon et al.

Journal of economic entomology, 101(1), 36-41 (2008-03-12)

Benzylideneacetone (BZA) is a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, and it acts as an enzyme inhibitor against phospholipase A2 (PLA2). PLA2 catalyzes a committed biosynthetic step of eicosanoids, which mediate insect immune reactions to infection by microbial pathogens.

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Global Trade Item Number

SKU	GTIN
147885-250G	04061838737700