Hexanal, 3,5,5-trimethyl-


Chemical Name: Hexanal, 3,5,5-trimethyl-
CAS Number: 5435-64-3
Product Number: AG003IJK(AGN-PC-0946BL)
Synonyms:
MDL No:
Molecular Formula: C9H18O
Molecular Weight: 142.2386

Identification/Properties


Properties
MP:
-18℃ (estimate)
BP:
216.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
142.242g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
142.136g/mol
Monoisotopic Mass:
142.136g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
99.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
1989
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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