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241091

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
NACRES:
NA.22
PubChem Substance ID:
24854463
UNSPSC Code:
12352100
EC Number:
217-587-6
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

39-41 °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

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

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

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

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