CAS 99-96-7 4-Hydroxybenzoic Acid - Materials / Alfa Chemistry

NAVIGATION

4-Hydroxybenzoic Acid

PRICE INQUIRY

Catalog Number

ACM99967

CAS Number

99-96-7

Product Name

4-Hydroxybenzoic Acid

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

p-Hydroxybenzoic

Description

PelletsLargeCrystals;Solid;Solid;White crystalline powder; faint nutty odour

IUPAC Name

4-Hydroxybenzoic acid

Molecular Weight

138.12

Molecular Formula

C7H6O3

Canonical SMILES

C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

FJKROLUGYXJWQN-UHFFFAOYSA-N

Melting Point

213-217 °C (lit.)

Flash Point

199°C

Purity

98%

Density

1.46 g/ml

Solubility

0.04 M;5 mg/mL at 25 °C;Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C);Soluble in about 125 parts water, freely in alcohol, slightly in chloroform; soluble in ether, acetone. Practically insoluble in carbon disulfide.;In water, 5000 mg/L at 25 °C;5.0 mg/mL;slightly soluble in water; soluble in organic solvents;freely soluble (in ethanol)

Appearance

Solid

Application

4-Hydroxybenzoic Acid, also known as PHBA, serves multiple purposes across various industries due to its unique chemical properties. Primarily, it functions as a crucial intermediate in the synthesis of dyes, antiseptics, and active pharmaceutical ingredients. The acid's esters, commonly referred to as parabens, are extensively employed as preservatives in cosmetics and certain ophthalmic solutions. Moreover, it is applied as a food preservative, corrosion inhibitor, antioxidant, and emulsifier. In the realm of materials science, 4-hydroxybenzoic acid is integral to the creation of Vectran fiber through its reaction with 6-hydroxynaphthalene-2-carboxylic acid, resulting in an aromatic polyester. It is also a precursor in manufacturing compounds such as p-hydroxyphenylbenzoate, p-acetoxybenzoyl chloride, and 4,4'-dihydroxybenzophenone. Additionally, it finds applications in paint and coating additives, processing aids, and various electrical and electronic products. Through its diverse uses, 4-hydroxybenzoic acid plays a significant role in enhancing the functionality and longevity of numerous products.

Assay

0.9999

Color/Form

White granular crystalline powder consisting of monoclinic prisms

Complexity

125

Covalently-Bonded Unit Count

EC Number

202-804-9

Exact Mass

138.031694g/mol

Formal Charge

Heavy Atom Count

Log P

1.58 (LogP);1.58;log Kow=1.58;1.58

MDL Number

MFCD00002547

MeSH Entry Terms

4-hydroxybenzoate;4-hydroxybenzoic acid;4-hydroxybenzoic acid, calcium salt;4-hydroxybenzoic acid, copper(2+)(1:1) salt;4-hydroxybenzoic acid, dilithium salt;4-hydroxybenzoic acid, dipotassium salt;4-hydroxybenzoic acid, disodium salt;4-hydroxybenzoic acid, monopotassium salt;4-hydroxybenzoic acid, monosodium salt;4-hydroxybenzoic acid, monosodium salt, 11C-labeled;p-hydroxybenzoate;para-hydroxybenzoic acid;sodium p-hydroxybenzoate tetrahydrate

Monoisotopic Mass

138.031694g/mol

NSC Number

4961

Other Experimental

Henry's Law constant= 7.2X10-12 atm-cu m/mole at 25 °C /Estimated/;Hydroxyl radical reaction rate constant= 1.3X10-11 cu cm/molecule-sec at 25 °C /Estimated/

Packaging

1 kg

3.3 (1g/L, H₂O)

Refractive Index

1.53

Rotatable Bond Count

Stability

Stable under normal temperatures and pressures.

Storage Conditions

Store in a cool, dry place. Keep container closed when not in use.

UNII

JG8Z55Y12H