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About This Item
Linear Formula:
CH3COCH2CH2CH3
CAS Number:
Molecular Weight:
86.13
EC Number:
203-528-1
UNSPSC Code:
41116107
MDL number:
Beilstein/REAXYS Number:
506058
InChI
1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChI key
XNLICIUVMPYHGG-UHFFFAOYSA-N
SMILES string
CCCC(C)=O
vapor pressure
27 mmHg ( 20 °C)
grade
puriss. p.a.
assay
≥99.8% (GC)
autoignition temp.
941 °F
shelf life
limited shelf life, expiry date on the label
expl. lim.
8.2 %
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
refractive index
n20/D 1.39 (lit.), n20/D 1.390
bp
101-105 °C (lit.)
mp
−78 °C (lit.)
density
0.809 g/mL at 25 °C (lit.)
application(s)
environmental
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Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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