5-methyl-2-phenylhex-2-enal


Chemical Name: 5-methyl-2-phenylhex-2-enal
CAS Number: 21834-92-4
Product Number: AG003MVD(AGN-PC-0JT5TZ)
Synonyms:
MDL No: MFCD00036615
Molecular Formula: C13H16O
Molecular Weight: 188.2655

Identification/Properties


Properties
BP:
97-99°C 0,7mm
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.534(lit.)
Computed Properties
Molecular Weight:
188.27g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
188.12g/mol
Monoisotopic Mass:
188.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
197
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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