CAS 150-13-0 4-Aminobenzoic acid - Materials / Alfa Chemistry

NAVIGATION

4-Aminobenzoic acid

PRICE INQUIRY

Catalog Number

ACM150130-1

CAS Number

150-13-0

Product Name

4-Aminobenzoic acid

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Aminobenzoic acid;PABA,Vitamin Bx,Vitamin H1;Benzoic acid, 4-amino-;

Description

4-Aminobenzoic acid (also known as para-aminobenzoic acid or PABA because the number 4 carbon in the benzene ring is also known as the para position) is an organic compound with the formula H2NC6H4CO2H. PABA, a white-grey crystalline substance, is only slightly soluble in water. It consists of a benzene ring substituted with an amino group and a carboxyl group.

IUPAC Name

4-aminobenzoic acid

Molecular Weight

137.14g/mol

Molecular Formula

C7H7NO2

Canonical SMILES

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

InChI

InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

InChI Key

ALYNCZNDIQEVRV-UHFFFAOYSA-N

Melting Point

186-189ºC

Flash Point

159.4ºC

Density

1.374

Solubility

0.04 M;In water, 5,390 mg/L at 25 °C; 6,110 mg/L at 30 °C;One gram dissolves in 90 mL boiling water; in 8 ml alcohol, in 60 mL ether. Soluble in ethyl acetate, glacial acetic acid; slightly soluble in benzene; practically insoluble in petroleum ether.;Freely soluble in alcohol;Soluble in alkalis and ethane (C2H6);Soluble in oxygenated solvents;Soluble in ethanol and ether; slightly soluble in acetone; insoluble in chloroform and benzene;Solubility in 90% ethanol, 11.3% at 9.6 °C; solubility in benzene, 0.06% at 11 °C;The solubility of 4-aminobenzoic acid is 6.1 g/L at 30 °C in water, 125 g/L alcohol and 17 g/L ether; it is soluble in ethyl acetate and glacial acetic acid, slightly soluble in benzene, and practically insoluble in petroleum ether.;6.11 mg/mL;>20.6 [ug/mL]

Appearance

White to off white crystalline powder

Application

4-Aminobenzoic acid, also known as para-aminobenzoic acid or PABA, serves multiple purposes owing to its unique properties. This organic compound naturally combines with pteridine and glutamic acid to form folic acid, playing a crucial role in biological processes. Notably, PABA's ability to absorb UVB light makes it a valuable ingredient in sunscreens, offering protection from harmful ultraviolet rays. Additionally, it is used in some medicinal applications, including analgesic and anesthetic preparations. PABA's pharmacological use extends to its inclusion in drugs for treating fibrotic skin disorders like Peyronie's disease. Furthermore, it is used in nutritional studies to verify the accuracy of urine sample collections for analyzing specific nutrient levels. This multifunctionality highlights PABA's significance across various fields, from dermatological formulations to nutritional science.

Color/Form

Monoclinic prisms from dilute alcohol;Light buff crystals; white when pure;Yellowish to red crystals or prisms;White or slightly yellow crystals or crystalline powder

Complexity

128

Covalently-Bonded Unit Count

EC Number

205-753-0

Exact Mass

137.047678g/mol

Formal Charge

Hazard Statements

Xn,Xi

Heavy Atom Count

Log P

1.54820

MDL Number

MFCD00007894

MeSH Entry Terms

4 Aminobenzoic Acid;4 Aminobenzoic Acid, Potassium Salt;4-Aminobenzoate, Potassium;4-Aminobenzoic Acid;4-Aminobenzoic Acid, Potassium Salt;Aminobenzoate, Potassium;Aminobenzoic Acid (USP);Epit Vit;Epitelplast;Hachemina;Magnesium para-Aminobenzoate;p Aminobenzoic Acid;p-Aminobenzoic Acid;PABA;Pabasan;para Aminobenzoic Acid;para-Aminobenzoate, Magnesium;para-Aminobenzoic Acid;Paraminan;Paraminol;Potaba;Potassium 4 Aminobenzoate;Potassium 4-Aminobenzoate;Potassium Aminobenzoate

Monoisotopic Mass

137.047678g/mol

NSC Number

7627

Odor

Odorless

Other Experimental

May turn slightly yellow on prolonged exposure to light and air;Henry's Law constant = 1.5X10-10 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 4.0X10-11 cu cm/molecule sec at 25 °C (est)

Refractive Index

1.5795

Rotatable Bond Count

RTECS Number

DG1400000

Safety Description

26-36-37/39

Stability

Stable. Incompatible with strong oxidizing agents. Combustible. Sensitive to light and air. May discolour on exposure to light.

Storage Conditions

2-8ºC

Supplemental Hazard Statements