135380
Phenylacetone
99%
Synonym(s):
Benzyl methyl ketone, Phenyl-2-propanone
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About This Item
Linear Formula:
C6H5CH2COCH3
CAS Number:
Molecular Weight:
134.18
EC Number:
203-144-4
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
742120
MDL number:
InChI key
QCCDLTOVEPVEJK-UHFFFAOYSA-N
InChI
1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
SMILES string
CC(=O)Cc1ccccc1
assay
99%
form
liquid
drug control
USDEA Schedule II
availability
available only in EU
density
1.003 g/mL at 20 °C (lit.)
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.
signalword
Warning
hcodes
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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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
Hanna M Dudek et al.
Applied microbiology and biotechnology, 88(5), 1135-1143 (2010-08-13)
Type I Baeyer-Villiger monooxygenases (BVMOs) strongly prefer NADPH over NADH as an electron donor. In order to elucidate the molecular basis for this coenzyme specificity, we have performed a site-directed mutagenesis study on phenylacetone monooxygenase (PAMO) from Thermobifida fusca. Using
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.
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
W Krawczyk et al.
Bulletin on narcotics, 57(1-2), 33-62 (2005-01-01)
1-Phenyl-2-propanone (P-2-P), also known as benzyl methyl ketone (BMK), is the main precursor used in amphetamine synthesis. In recent years, the number of seizures of P-2-P from both licit and illicit drug manufacture has increased. The present article comprises a
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