Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester


Chemical Name: Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester
CAS Number: 67845-93-6
Product Number: AG003QVQ(AGN-PC-0JM0SH)
Synonyms:
MDL No: MFCD00180757
Molecular Formula: C31H54O3
Molecular Weight: 474.7587

Identification/Properties


Properties
MP:
59-61 °C(lit.);
BP:
539.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
474.77g/mol
XLogP3:
12.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
19
Exact Mass:
474.407g/mol
Monoisotopic Mass:
474.407g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
504
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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