58460
2-Methyl-1-propanol
purum, ≥99.0% (GC)
Synonym(s):
Isobutanol, Isobutyl alcohol
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About This Item
Linear Formula:
(CH3)2CHCH2OH
CAS Number:
Molecular Weight:
74.12
EC Number:
201-148-0
UNSPSC Code:
12190000
MDL number:
Beilstein/REAXYS Number:
1730878
Product Name
2-Methyl-1-propanol, purum, ≥99.0% (GC)
InChI
1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChI key
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
SMILES string
CC(C)CO
vapor density
2.55 (vs air)
vapor pressure
8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)
grade
purum
assay
≥99.0% (GC)
autoignition temp.
801 °F
expl. lim.
10.6 %
refractive index
n20/D 1.396 (lit.)
n20/D 1.396
bp
108 °C (lit.)
mp
−108 °C (lit.)
density
0.803 g/mL at 25 °C (lit.)
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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
Alfonso Pérez-Garrido et al.
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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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