All Photos(1)

76950

Sigma-Aldrich

3-Pentanol

purum, ≥98.0% (GC)

Synonym(s):
sec-inact.-Pentyl alcohol, Diethyl carbinol
Linear Formula:
(C2H5)2CHOH
CAS Number:
Molecular Weight:
88.15
Beilstein:
1730964
EC Number:
MDL number:
PubChem Substance ID:

grade

purum

assay

≥98.0% (GC)

autoignition temp.

815 °F

refractive index

n20/D 1.410 (lit.)
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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Certificate of Analysis

Certificate of Origin

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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