Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester


Chemical Name: Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester
CAS Number: 118-60-5
Product Number: AG003H7X(AGN-PC-0JK8ID)
Synonyms:
MDL No:
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
BP:
331.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.502(lit.)
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
250.157g/mol
Monoisotopic Mass:
250.157g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
240
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


NMR Spectrum


Other Analytical Data


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