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About This Item
Linear Formula:
CH2CH2COCOCH2CH3
CAS Number:
Molecular Weight:
114.14
Beilstein/REAXYS Number:
1700837
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
95%
form
liquid
refractive index
n20/D 1.41 (lit.)
bp
131 °C (lit.)
density
0.939 g/mL at 25 °C (lit.)
SMILES string
CCC(=O)C(=O)CC
InChI
1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChI key
KVFQMAZOBTXCAZ-UHFFFAOYSA-N
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General description
The dermal irritation and sensitization potential of 3,4-hexanedione (used as constituents of synthetic flavoring agent) was studied using a murine model. The 3,4-hexanedione derivatives inhibited oxoglutarate transport.
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