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Merck
CN

76948

3-Pentanol

puriss., ≥99.5% (GC)

Synonym(s):

sec-inact.-Pentyl alcohol, Diethyl carbinol

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About This Item

Linear Formula:
(C2H5)2CHOH
CAS Number:
Molecular Weight:
88.15
EC Number:
209-526-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1730964
MDL number:
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grade

puriss.

assay

≥99.5% (GC)

autoignition temp.

815 °F

refractive index

n20/D 1.410

bp

114-115 °C/749 mmHg (lit.)

density

0.815 g/mL at 25 °C (lit.)

SMILES string

CCC(O)CC

InChI

1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChI key

AQIXEPGDORPWBJ-UHFFFAOYSA-N

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Guangwei Si et al.
Neuron, 101(5), 950-962 (2019-01-27)
Odor perception allows animals to distinguish odors, recognize the same odor across concentrations, and determine concentration changes. How the activity patterns of primary olfactory receptor neurons (ORNs), at the individual and population levels, facilitate distinguishing these functions remains poorly understood. Here, we
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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