Butenal, 3-methyl-


Chemical Name: Butenal, 3-methyl-
CAS Number: 107-86-8
Product Number: AG0033R1(AGN-PC-0JL487)
Synonyms:
MDL No:
Molecular Formula: C5H8O
Molecular Weight: 84.1164

Identification/Properties


Properties
MP:
-20°C
BP:
134°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.462(lit.)
Solubility:
soluble
Computed Properties
Molecular Weight:
84.118g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
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:
68
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#:
2920
Hazard Statements:
H226-H302-H314-H317-H331
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8,3
Packing Group:

NMR Spectrum


Other Analytical Data


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