Pentenal, (E)-


Chemical Name: Pentenal, (E)-
CAS Number: 1576-87-0
Product Number: AG001PJR(AGN-PC-0O4HZO)
Synonyms:
MDL No:
Molecular Formula: C5H8O
Molecular Weight: 84.1164

Identification/Properties


Properties
MP:
-101.15°C (estimate)
BP:
126.805°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.440-1.446(lit.)
Computed Properties
Molecular Weight:
84.118g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
84.058g/mol
Monoisotopic Mass:
84.058g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
55
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1989
Hazard Statements:
H225-H315-H319-H335
Precautionary Statements:
P241-P242-P261-P264-P271-P305+P351+P338-P312-P363-P370+P378-P403+P233-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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