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241091

Sigma-Aldrich

trans-4-Phenyl-3-buten-2-one

≥99%

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About This Item

Fórmula lineal:
C6H5CH=CHCOCH3
Número de CAS:
1896-62-4
Peso molecular:
146.19
EC Number:
217-587-6
MDL number:
MFCD00008779
UNSPSC Code:
12352100
PubChem Substance ID:
24854463
NACRES:
NA.22

vapor pressure

0.01 mmHg ( 25 °C)

Quality Level

100

assay

≥99%

form

solid

bp

260-262 °C (lit.)

mp

39-41 °C (lit.)

solubility

alcohol: freely soluble(lit.)
benzene: freely soluble(lit.)
chloroform: freely soluble(lit.)
diethyl ether: freely soluble(lit.)
petroleum ether: very slightly soluble(lit.)
water: very slightly soluble(lit.)

functional group

ketone
phenyl

SMILES string

CC(=O)\C=C\c1ccccc1

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

Categorías relacionadas

General description

trans-4-Phenyl-3-buten-2-one forms trans-4-(4-hydroxyphenyl)-3-buten-2-one (4-OH-PBO) as a metabolite when incubated with liver microsomes of untreated rats in the presence of NADPH.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

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

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Certificados de análisis (COA)

Lot/Batch Number
SHBN8048
SHBL5905
MKCC5535
MKBG6278V
MKBD3513

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Sigma-Aldrich

M39105

3-Methyl-2-cyclohexenone

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Benzalacetone synthase (BAS), a plant-specific type III polyketide synthase (PKS), catalyzes a one-step decarboxylative condensation of malonyl-CoA and 4-coumaroyl-CoA to produce the diketide benzalacetone. We solved the crystal structures of both the wild-type and chalcone-producing I207L/L208F mutant of Rheum palmatum
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Applied and environmental microbiology, 78(11), 3816-3823 (2012-03-27)
The entomopathogenic bacteria Xenorhabdus nematophila and Photorhabdus temperata subsp. temperata suppress insect immune responses by inhibiting the catalytic activity of phospholipase A(2) (PLA(2)), which results in preventing biosynthesis of immune-mediating eicosanoids. This study identified PLA(2) inhibitors derived from culture broths
Lisa Dalla Via et al.
European journal of medicinal chemistry, 44(7), 2854-2861 (2009-01-22)
A series of conjugates of alpha,beta-unsaturated ketone systems, phenyl-butenone and diaryl-propenones (chalcones), with the tricyclic planar pyrroloquinoline nucleus were synthesised and evaluated for their anticancer properties. The aim was to target DNA by butenone and chalcones, and determine the occurrence
Toshiyuki Wakimoto et al.
Methods in enzymology, 515, 337-358 (2012-09-25)
Members of the chalcone synthase superfamily of type III polyketide synthases (PKSs) catalyze iterative condensations of CoA thioesters to produce a variety of polyketide scaffolds with remarkable structural diversity and biological activities. The homodimeric type III PKSs share a common
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