74823
Octane
purum, ≥95.0% (GC)
Synonym(s):
n-Octane
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About This Item
Linear Formula:
CH3(CH2)6CH3
CAS Number:
Molecular Weight:
114.23
EC Number:
203-892-1
UNSPSC Code:
12190000
MDL number:
Beilstein/REAXYS Number:
1696875
vapor density
3.9 (vs air)
vapor pressure
11 mmHg ( 20 °C)
grade
purum
assay
≥95.0% (GC)
autoignition temp.
428 °F
expl. lim.
6.5 %
refractive index
n20/D 1.398
bp
125-127 °C (lit.)
mp
−57 °C (lit.)
density
0.703 g/mL at 25 °C (lit.)
SMILES string
CCCCCCCC
InChI
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChI key
TVMXDCGIABBOFY-UHFFFAOYSA-N
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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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| N32601-25G | 04061831827361 |
| N32601-100G | 04061834115908 |
| N32601-5G | 04061834115915 |
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