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130362

Sigma-Aldrich

Isobutyrophenone

97%

Synonym(s):

2-Methyl-1-phenyl-1-propanone, Isobutyrylbenzene

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About This Item

Linear Formula:
C6H5COCH(CH3)2
CAS Number:
611-70-1
Molecular Weight:
148.20
Beilstein/REAXYS Number:
774499
EC Number:
210-275-0
MDL number:
MFCD00008917
UNSPSC Code:
12352100
PubChem Substance ID:
24847961
NACRES:
NA.22

vapor pressure

1 mmHg ( 50 °C)

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.517 (lit.)

bp

217 °C (lit.)

density

0.988 g/mL at 25 °C (lit.)

functional group

ketone
phenyl

SMILES string

CC(C)C(=O)c1ccccc1

InChI

1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

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Application

Isobutyrophenone was used as an internal standard in the determination of hydroxyzine hydrochloride and benzyl alcohol in injection solutions. It was also used in the preparation of alpha-hydroxyisobutyrophenone.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

183.2 °F

flash_point_c

84 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
06706MZ
S24953

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The chlorination of isobutyrophenone: determination of its p K a value and of the course of the reaction.
Guthrie JP and Cossar J.
Canadian Journal of Chemistry, 68(3), 397-403 (1990)
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