Benzoic acid, 4-hydroxy-, hexyl ester


Chemical Name: Benzoic acid, 4-hydroxy-, hexyl ester
CAS Number: 1083-27-8
Product Number: AG003QXE(AGN-PC-0JKBKK)
Synonyms:
MDL No:
Molecular Formula: C13H18O3
Molecular Weight: 222.2802

Identification/Properties


Properties
MP:
53°C
BP:
339°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4940 (estimate)
Computed Properties
Molecular Weight:
222.284g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
222.126g/mol
Monoisotopic Mass:
222.126g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
195
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:
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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Chemical Structure



Hexyl 4-hydroxybenzoate, also known as hexylparaben, is a chemical compound commonly utilized in chemical synthesis as a versatile intermediate. This compound plays a crucial role as a key building block in the production of various products in the chemical industry. Its unique chemical structure allows it to participate in a variety of reactions, making it a valuable component in the synthesis of pharmaceuticals, agricultural chemicals, and cosmetics. With its ability to serve as a precursor for the creation of more complex molecules, hexyl 4-hydroxybenzoate is an essential tool for chemists seeking to design and develop novel compounds with specific properties and functionalities. Its applications in chemical synthesis demonstrate its importance in the creation of innovative materials and formulations for a wide range of industrial sectors.