3-Pentanol, 3-ethyl-


Chemical Name: 3-Pentanol, 3-ethyl-
CAS Number: 597-49-9
Product Number: AG003JEH(AGN-PC-0JKA63)
Synonyms:
MDL No:
Molecular Formula: C7H16O
Molecular Weight: 116.2013

Identification/Properties


Properties
MP:
-12.5 °C
BP:
142.0°C
Storage:
2-8℃;Keep in dry area;
Form:
Liquid
Refractive Index:
n20/D 1.430(lit.)
Computed Properties
Molecular Weight:
116.204g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
116.12g/mol
Monoisotopic Mass:
116.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
47.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1987
Hazard Statements:
H226-H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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