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135380

Phenylacetone

Name: Phenylacetone
Brand: ALDRICH

99%

Synonym(s):

Benzyl methyl ketone, Phenyl-2-propanone

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About This Item

Linear Formula:

C₆H₅CH₂COCH₃

CAS Number:

103-79-7

Molecular Weight:

134.18

EC Number:

203-144-4

UNSPSC Code:

12352100

PubChem Substance ID:

329750209

Beilstein/REAXYS Number:

742120

MDL number:

MFCD00017249

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Properties

assay

99%

form

liquid

drug control

USDEA Schedule II

availability

available only in EU

density

1.003 g/mL at 20 °C (lit.)

SMILES string

CC(=O)Cc1ccccc1

InChI

1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI key

QCCDLTOVEPVEJK-UHFFFAOYSA-N

Description

General description

Phenylacetone is the immediate precursor for clandestine production of amphetamine and methamphetamine. Phenylacetone on anaerobic incubations with rat liver mitochondria gets reduced to phenylisopropanol.

pictograms

GHS07

signalword

Warning

hcodes

H319

pcodes

P264 - P280 - P305 + P351 + P338 - P337 + P313

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone.

Karla I Ziegelmann-Fjeld et al.

Protein engineering, design & selection : PEDS, 20(2), 47-55 (2007-02-07)

The secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus 39E (TeSADH) is highly thermostable and solvent-stable, and it is active on a broad range of substrates. These properties make TeSADH an excellent template to engineer an industrial catalyst for chiral chemical synthesis.

Comparative analysis of 1-phenyl-2-propanone (P2P), an amphetamine-type stimulant precursor, using stable isotope ratio mass spectrometry: presented in part as a poster at the 2nd meeting of the Joint European Stable Isotope User Meeting (JESIUM), Giens, France, September 2008.

S Schneiders et al.

Science & justice : journal of the Forensic Science Society, 49(2), 94-101 (2009-07-18)

The isotope ratios of amphetamine type stimulants (ATS) depend as well on the precursor as the synthetic pathway. For clandestine production of amphetamine and methamphetamine, 1-phenyl-2-propanone (P2P, benzylmethylketone) is a commonly used precursor. Our aim was to determine the variation

Analysis of the infrared and Raman spectra of the symmetrically substituted 1,3-diphenylurea and 1,3-diphenylacetone (dibenzyl ketone).

Hassan M Badawi et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 95, 435-441 (2012-05-15)

The structural stability of 1,3-diphenylurea and 1,3-diphenylacetone was investigated by the DFT-B3LYP and ab initio MP2 calculations using the 6-311G(**) basis set. From full energy optimization at the MP2 level of theory the near-planar cis-trans form of 1,3-diphenylurea was predicted

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