grade
spectrophotometric grade
vapor pressure
27 mmHg ( 20 °C)
assay
≥99%
autoignition temp.
941 °F
expl. lim.
8.2 %
impurities
<0.050% water
evapn. residue
<0.0005%
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.)
λ
H2O reference
UV absorption
λ: 330 nm Amax: 1.00, λ: 340 nm Amax: 0.10, λ: 350 nm Amax: 0.01, λ: 370-400 nm Amax: 0.005
SMILES string
CCCC(C)=O
InChI
1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChI key
XNLICIUVMPYHGG-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
46.4 °F - closed cup
flash_point_c
8 °C - closed cup
法规信息
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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