76880
Pentane Fraction
purum
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
PubChem Substance ID:
UNSPSC Code:
12352001
Beilstein/REAXYS Number:
969132
MDL number:
grade
purum
refractive index
n20/D 1.358
bp
32-37 °C
density
0.625 g/mL at 20 °C
SMILES string
CCCCC
InChI
1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChI key
OFBQJSOFQDEBGM-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 1 - STOT SE 3
target_organs
Central nervous system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-40.0 °F - closed cup
flash_point_c
-40 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
新产品
This item has
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
Michael H Abraham et al.
European journal of medicinal chemistry, 44(2), 885-890 (2008-07-08)
The convulsant activity of 48 compounds studied by Eger et al. has been analyzed using an Abraham solvation equation. Four compounds identified by Eger et al. as more potent than expected were similarly identified, and for the remaining 44 compounds
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service