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Merck
CN

41406

4-Phenyl-2-butanone

analytical standard

Synonym(s):

Benzylacetone, Methyl 2-phenethyl ketone, NSC 44829, NSC 813

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About This Item

Linear Formula:
C6H5CH2CH2COCH3
CAS Number:
2550-26-7
Molecular Weight:
148.20
EC Number:
219-847-4
UNSPSC Code:
12352200
NACRES:
NA.24
Beilstein/REAXYS Number:
1907123
MDL number:
MFCD00008790

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InChI

1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI key

AKGGYBADQZYZPD-UHFFFAOYSA-N

SMILES string

CC(=O)CCc1ccccc1

grade

analytical standard

assay

≥97.0% (GC)

shelf life

limited shelf life, expiry date on the label

Quality Level

100

bp

235 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

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General description

4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.

Application

4-Phenyl-2-butanone may be used as an analytical standard for the determination of the analyte in volatile oils, as well as agarwood extracts of Aquilaria malaccensis, yeast cell culture, and biological samples by various chromatography based techniques.

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

221.0 °F - closed cup

flash_point_c

105 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCB9413
BCBT1653

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Saiful Nizam Tajuddin et al.
Natural product communications, 5(12), 1965-1968 (2011-02-09)
Volatile oils of Aquilaria malaccensis Benth. (Thymelaeaceae) from Malaysia were obtained by hydrodistillation and subjected to detailed GC-FID and GC/MS analyses to determine possible similarities and differences in their chemical composition in comparison with the commercial oil. A total of
S Kitamura et al.
Drug metabolism and disposition: the biological fate of chemicals, 27(7), 767-769 (1999-06-29)
The reductive metabolism in vivo of a flavoring additive, trans-4-phenyl-3-buten-2-one (PBO; trans-methyl styryl ketone) was investigated in rats and dogs. In both species, the double bond-reduced product, 4-phenyl-2-butanone (PBA), was detected by HPLC as the predominant species in blood after
Takashi Miyoshi et al.
Biological & pharmaceutical bulletin, 36(9), 1474-1481 (2013-09-03)
Benzylacetone is released by heated agarwood, when inhaled it has a potent effect on reducing the locomotor activity of mice. This study investigated the relationships between the sedative activities of benzylacetone and its derivatives as well as the chemical structures
Patterns and consequences of benzyl acetone floral emissions from Nicotiana attenuata plants
Baldwin IT, et al.
Journal of Chemical Ecology, 23(10), 2327-2343 (1997)
Gas chromatography-mass spectrometry analysis of agarwood extracts from mature and juvenile Aquilaria malaccensis
Tsan PLJP and Mohamed R
International Journal of Agriculture and Biology, 16(3) (2014)
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