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

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