16557
3-Hexanone
analytical standard
Synonym(s):
Ethyl propyl ketone
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About This Item
Linear Formula:
CH3CH2CH2COC2H5
CAS Number:
Molecular Weight:
100.16
UNSPSC Code:
12352200
NACRES:
NA.24
PubChem Substance ID:
EC Number:
209-645-4
Beilstein/REAXYS Number:
1738025
MDL number:
InChI key
PFCHFHIRKBAQGU-UHFFFAOYSA-N
InChI
1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
SMILES string
CCCC(=O)CC
grade
analytical standard
assay
≥97.5% (GC)
shelf life
limited shelf life, expiry date on the label
Quality Level
bp
123 °C (lit.)
density
0.815 g/mL at 25 °C (lit.)
format
neat
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General description
3-Hexanone, a volatile dialkyl ketone, is a well-known flavor and aroma ingredient present in food and beverage products.
Application
3-Hexanone can be used as an analytical standard for the determination of the analyte in foods, and alcoholic beverages by liquid chromatography (LC) based methods.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
57.2 °F
flash_point_c
14 °C
Regulatory Information
危险化学品
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Tequila volatile characterization and ethyl ester determination by solid phase microextraction gas chromatography/mass spectrometry analysis
Vallejo-Cordoba B, et al.
Journal of Agricultural and Food Chemistry, 52(18), 5567-5571 (2004)
Gas chromatographic/mass spectrometric method for analysis of trace carbonyl compounds in foods and beverages
Yasuhara A, et al.
Journal of Agricultural and Food Chemistry, 46(7), 2664-2670 (1998)
Simultaneous distillation-extraction and dynamic headspace methods in the gas chromatographic analysis of Parmesan cheese volatiles
Careri M, et al.
Chromatographia, 38(5-6), 386-394 (1994)
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction
Boue SM, et al.
Journal of Agricultural and Food Chemistry, 51(17), 4873-4876 (2003)
HPLC-DAD analysis of ketones as their 2, 4-dinitrophenylhydrazones in Brazilian sugar-cane spirits and rum
Cardoso DR, et al.
Journal of food composition and analysis, 16(5), 563-573 (2003)
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