Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester


Chemical Name: Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester
CAS Number: 5153-25-3
Product Number: AG003H7R(AGN-PC-07CEHL)
Synonyms:
MDL No:
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
BP:
362.6°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.5190 to 1.5220
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
4.5
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:
232
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H317-H319
Precautionary Statements:
P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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