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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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847961
EC Number:
210-275-0
Beilstein/REAXYS Number:
774499
MDL number:
MFCD00008917
Assay:
97%
Form:
liquid
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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

InChI key

BSMGLVDZZMBWQB-UHFFFAOYSA-N

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

WGK 3

flash_point_f

183.2 °F

flash_point_c

84 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

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Certificates of Analysis (COA)

Lot/Batch Number
06706MZ
S24953

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Gavin McLaughlin et al.
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The availability of new psychoactive substances (NPS) on the recreational drug market continues to create challenges for scientists in the forensic, clinical and toxicology fields. Phenmetrazine (3-methyl-2-phenylmorpholine) and an array of its analogs form a class of psychostimulants that are
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)
Zijun Wang et al.
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