W329002
3-Hexanone
≥97%
Synonym(s):
Ethyl propyl ketone
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About This Item
Linear Formula:
CH3CH2CH2COC2H5
CAS Number:
Molecular Weight:
100.16
FEMA Number:
3290
Council of Europe no.:
4125
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.096
EC Number:
209-645-4
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1738025
Organoleptic:
fruity; waxy; sweet
Biological source:
synthetic
Food allergen:
no known allergens
Product Name
3-Hexanone, ≥97%
SMILES string
CCCC(=O)CC
InChI
1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChI key
PFCHFHIRKBAQGU-UHFFFAOYSA-N
biological source
synthetic
assay
≥97%
refractive index
n20/D 1.400 (lit.)
bp
123 °C (lit.)
density
0.815 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
fruity; waxy; sweet
Quality Level
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Disclaimer
For R&D or non-EU Food use. Not for retail sale.
General description
3-Hexanone has been reported as one of the volatile organic compounds (VOCs) in pandan leaves, strawberry and acerola fruit.
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Volatile composition of pandan leaves (Pandanus amaryllifolius).
Flavor chemistry of ethnic foods, 105-109 (1999)
Metabolism of natural volatile compounds by strawberry fruit.
Hamilton-Kemp TR, et al.
Journal of Agricultural and Food Chemistry, 44(9), 2802-2805 (1996)
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit.
Pino JA & Marbot R.
Journal of Agricultural and Food Chemistry, 49(12), 5880-5882 (2001)
Blas Agut et al.
The New phytologist, 207(3), 790-804 (2015-03-17)
The citrus rootstocks sour orange and Cleopatra mandarin display differential resistance against Tetranychus urticae. Sour orange plants support reduced oviposition, growth rates and damage compared with Cleopatra mandarin plants. Jasmonic acid signalling and flavonoid accumulation have been revealed as key
Profile of volatile metabolites in human urine.
A Zlatkis et al.
Clinical chemistry, 17(7), 592-594 (1971-07-01)
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