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About This Item
Linear Formula:
CH3COCH2CH2CH3
CAS Number:
Molecular Weight:
86.13
EC Number:
203-528-1
UNSPSC Code:
12190000
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
grade
reagent grade
vapor pressure
27 mmHg ( 20 °C)
assay
97%
autoignition temp.
941 °F
expl. lim.
8.2 %
refractive index
n20/D 1.39 (lit.)
bp
101-105 °C (lit.)
mp
−78 °C (lit.)
density
0.809 g/mL at 25 °C (lit.)
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
46.4 °F - closed cup
flash_point_c
8 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Shane Avison et al.
Journal of agricultural and food chemistry, 63(28), 6313-6318 (2015-06-23)
A new methodology is presented to measure water-air partition coefficients (Henry's constants) of volatiles, using APCI-MS. Significant advantages over other Henry's constant determination methods include the short measurement and sample preparation time and the possibility for simultaneous measurement of multiple
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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