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241091

Sigma-Aldrich

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

≥99%

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About This Item

Linear Formula:
C6H5CH=CHCOCH3
CAS Number:
1896-62-4
Molecular Weight:
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)

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.)

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

Related Categories

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

Signal Word

Warning

Hazard Statements

H315,H317,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

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When chalcone and trans-4-phenyl-3-buten-2-one (PBO) were incubated with liver microsomes of untreated rats in the presence of NADPH, 4-hydroxychalcone and trans-4-(4-hydroxyphenyl)-3-buten-2-one (4-OH-PBO), respectively, were formed as major metabolites. Two minor metabolites of chalcone, 4'-hydroxychalcone and 2-hydroxychalcone, were also observed. The
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