p-AMINOBENZOIC ACID (PABA)

p-AMINOBENZOIC ACID

PRODUCT IDENTIFICATION

CAS NO.

150-13-0

p-AMINOBENZOIC ACID

EINECS NO. 205-753-0

FORMULA H₂NC₆H₄COOH

MOL WT. 137.14

H.S. CODE 3922.49

TOXICITY Oral rat LD50: 6000 mg/kg

SYNONYMS 4-Amino-benzoic Acid, 4-Amino-Benzoesaeure;

p-Amino-benzoesaeure; PABA; vitamin BX; Anticanitic vitamin; p-Carboxyaniline; p-Carboxyphenylamine; 1-Amino-4-carboxybenzene; Kyselina p-Aminobenzoova; Aniline-4-carboxylic acid;

SMILES

CLASSIFICATION

p-AMINOBENZOIC ACID / VITAMINS /

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE White Crystalline powder

MELTING POINT 187 C

BOILING POINT

SPECIFIC GRAVITY 1.37

SOLUBILITY IN WATER Slight soluble

SOLVENT SOLUBILITY

Insoluble; Chloroform; Petroleum ether; Benzene, soluble; Ethyl acetate; acetic acid; Ether;

AUTOIGNITION

3.5

VAPOR DENSITY

NFPA RATINGS Health: 1 Flammability: 1 Reactivity: 0

REFRACTIVE INDEX

FLASH POINT

STABILITY Stable under ordinary conditions

APPLICATIONS

Benzoic acid derivatives substituted by hydroxy group or ether containing oxygen atom have active bacteriostatic and fragrant properties. They are typically used in pharmaceutical and perfumery industry. The destructive metabolic property of oxygen containing benzoic acid derivatives such as protocatechuic acid (3,4-dihydroxybenzoic acid) and veratric acid (3,4-dimethoxybenzoic acid) is used in the application for pharmaceuticals. Protocatechuic acid is a catabolite of epinephrine. Prazosin, a peripheral vasodilator and antihypertensive, is also an example of the applicaion of veratric acid. Hydroxy and ether substituted benzoic acids feature analogue metabolite of aspirin (acetylsalicylic Acid). They are used as intermediates for pharmaceuticals (especially for antipyetic anlgesic, antirheumatism) and other organic synthesis. They are used as matrix for ionization of peptides, proteins and carbohydrates.

Benzoic acid, the simplest aromatic carboxylic acid containing carboxyl group bonded directly to benzene ring, is a white, crystalline organic compound; melting at 122 C (starting sublime at 100 C); boiling at 249 C; slightly soluble in water, soluble in ethanol, very slightly soluble in benzene and acetone. Its aqua solution is weakly acidic. It occurs naturally in many plants and resins. Benzoic acid is also detected in animals. The most of commercial benzoic acid is produced by the reaction of toluene with oxygen at temperatures around 200 C in the liquid phase and in the presence of cobalt and manganese salts as catalysts. It can be prepared also by the oxidation of benzene with concentrated sulphuric acid or carbon dioxide in the presence of catalysts. Other methods are such as by the oxidation of benzyl alcohol, benzaldehyde, cinnamic acid; by hydrolysis of benzonitrile, benzoyl chloride. More than 90% of commercial benzoic acid is converted directly to phenol and caprolactam. Its use in the production of glycol benzoates for the application of plasticizer in adhesive formulations is increasing. It is also used in the manufacture of alkyd resins and drilling mud additive for crude oil recovery applications. It is used as a rubber polymerization activators and retardants. Benzoic acid is converted to its salts and esters for the use of preservative application in foods, drugs and personal products. Sodium benzoate, sodium salt of benzoic acid, is used preferably as one of the principal anti-microbial preservatives used in foods and beverages (but it's concentration is limited usually not exceeding 0.1% because it is poisonous), as it is about 200 times more soluble than benzoic acid. Sodium Benzoate is also used in medications, anti-fermentation additives and tabletting lubricant for pharmaceuticals. The industrial applications are as a corrosion inhibitor, as an additive to automotive engine antifreeze coolants and in other waterborne systems, as a nucleating agents for polyolefin, as a dye intermediate, as a stabilizer in photographic processing and as a catalyst. Wide range of benzoic esters are used as solvents, dying carrier, disinfectant additive, penetrating agent and pesticides and manufacturing other compounds.

p-Aminobenzoic acid is a part of folic acid molecule. It was called Vitamin BX as it is a component of pteroylglutamate. But It is considered it does not contribute to synthesize folate in human body. Vitmin BX does not exist as PABA. In industrial field, it is a starting material in the manufacture of target esters, , salts, folic acid, azo dyes and other organic compounds. It is used as an UV-blocking ingredient in sun tan cosmetics. It is used in medical field for preparing local anesthetic and ointments. There are three structural isomers. amino group substituted benzoic acid at relative to the hydroxyl group, ortho-, meta-, and para-Aminobenzoic acid. The names of the three compounds indicate which of the hydrogens on the benzene ring portion of the molecule have been replaced. Aminobenzoic acids their derivatives are important for the preparation of other pharmaceutical products, dyes, flavours, and preservatives.

SALES SPECIFICATION

APPEARANCE

White Crystalline powder

PURITY 99.5% min

MELTING POINT

186 C min

WATER

0.2% max

ASH

0.1% max

HEAVY METALS

20ppm max

TRANSPORTATION

PACKING 25kgs in fiber drum

HAZARD CLASS Not regulated

UN NO.

REMARKS

Light sensitive. Discolors on exposure to air or light.

CARBOCYCLIC CARBOXYLIC ACID PARENT COMPOUNDS

ANISIC ACID

CAS NUMBER : 579-75-9 (o-), 586-38-9 (m-), 100-09-4 (p-)
EINECS NUMBER : 209-447-8 (o-), 209-574-9 (m-), 202-818-5 (p-)
OTHER CHEMICAL NAME(S): Methoxybenzoic acid
MELTING POINT(S): 184 C (o-), 103 C (m-), 184 C (p-)

CH₃OC₆H₄COOH (152.15)

ANISIC ACID

ANTHRANILIC ACID

CAS NUMBER : 118-92-3
EINECS NUMBER : 204-287-5
OTHER CHEMICAL NAME(S): o-Aminobenzoic Acid; 1-Amino-2-carboxybenzene; Vitamin L; 2-Carboxyaniline;
MELTING POINT(S): 145 C

(H₂N)C₆H₄COOH (137.14)

ANTHRANILIC ACID

ATROPIC ACID

CAS NUMBER : 492-38-6
EINECS NUMBER :
OTHER CHEMICAL NAME(S): 2-Phenylpropenoic acid
MELTING POINT(S): 145 C

C₆H₅(H₂C=)CCOOH (148.16)

ATROPIC ACID

BENZILIC ACID

CAS NUMBER : 76-93-7
EINECS NUMBER : 200-993-2
OTHER CHEMICAL NAME(S): 2,2-Diphenyl-2-hydroxyacetic acid; 2-Hydroxy-2,2-diphenylethanoic acid; alpha-hydroxy-alpha-phenyl-Benzeneacetic acid; Diphenylglycolic acid;
MELTING POINT(S): 150 - 153 C

(C₆H₅)₂C(OH)COOH (228.25)

BENZILIC ACID

BENZOIC ACID

CAS NUMBER : 65-85-0
EINECS NUMBER : 200-618-2
OTHER CHEMICAL NAME(S):Benzenemethanoic Acid; Carboxybenzene; Phenylformic Acid;
MELTING POINT(S): 122 C

C₆H₅COOH (122.12)

CAFFEIC ACID

CAS NUMBER : 331-39-5
EINECS NUMBER : 206-361-2
OTHER CHEMICAL NAME(S): 3,4-Dihydroxy-trans-cinnamate; (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid; 3,4-Dihydroxybenzeneacrylicacid; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid;MELTING POINT(S): 223 - 225 C

(HO)₂C₆H₃CH=CHCOOH (180.16)

CAFFEIC ACID

CAMPHORIC ACID

CAS NUMBER : 5394-83-2

C₁₀H₁₆O₄ (200.23)

CAMPHORIC ACID

CINNAMIC ACID

CAS NUMBER : 621-82-9
EINECS NUMBER : 205-398-1
OTHER CHEMICAL NAME(S): 3-Phenyl-2-propenoic acid; 3-Phenylacrylic acid; Phenylpropenoic acid
MELTING POINT(S): 132 - 135 C

C₆H₅CHCHCOOH (148.16)

CINNAMIC ACID

CRITHMINIC ACID

CAS NUMBER : 99-94-5
EINECS NUMBER : 202-803-3
OTHER CHEMICAL NAME(S): 4-Methylbenzoic acid; p-toluic acid; p-toluylic acid; Toluenecarboxylic acid;
MELTING POINT(S): 182 C

CH₃C₆H₄COOH (136.15)

DIPHENIC ACID

CAS NUMBER : 482-05-3
EINECS NUMBER : 207-576-4
OTHER CHEMICAL NAME(S): [1,1'-Biphenyl]-2,2'-Dicarboxylic Acid; 2,2'-Biphenyldicarboxylic Acid;
MELTING POINT(S): 227 - 229 C

(HOOC)C₆H₄C₆H₄(COOH) (242.23)

DIPHENIC ACID

FERULIC ACID

CAS NUMBER : 1135-24-6
EINECS NUMBER : 214-490-0
OTHER CHEMICAL NAME(S): 4-Hydroxy-3-methoxycinnamic acid; Coniferic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; trans-Ferulic acid;
MELTING POINT(S): 168 - 171 C

HO(CH₃O)C₆H₃CH=CHCOOH (194.19)

FERULIC ACID

GALLIC ACID

CAS NUMBER : 149-91-7
EINECS NUMBER : 205-749-9
OTHER CHEMICAL NAME(S): 3,4,5-Trihydroxybenzoic acid;
MELTING POINT(S): 251 C

C₆H₂(OH)₃COOH (170.12)

GALLIC ACID

GENTISIC ACID

CAS NUMBER : 490-79-9
EINECS NUMBER : 207-718-5
OTHER CHEMICAL NAME(S): 2,5-Dihydroxybenzoic acid; Hydroquinonecarboxylic acid;
MELTING POINT(S): 205 C

(HO)₂C₆H₃COOH (154.12)

GENTISIC ACID

HIPPURIC ACID

CAS NUMBER : 495-69-2
EINECS NUMBER : 207-806-3
OTHER CHEMICAL NAME(S): N-Benzoylglycine; Benzoylaminoacetic acid; Phenylcarbonylaminoacetic acid; Benzoylglycine;
MELTING POINT(S): 188 - 191 C

C₆H₅CONHCH₂COOH (179.18)

HIPPURIC ACID

ISOPHTHALIC ACID

CAS NUMBER : 121-91-5
EINECS NUMBER : 204-506-4
OTHER CHEMICAL NAME(S): 1,3-Benzenedicarboxylic acid; m-Phthalic Acid;
MELTING POINT(S): 341 - 343 C

HOOCC₆H₄COOH (166.13)

ISOPHTHALIC ACID

ISOVANILLIC ACID

CAS NUMBER : 645-08-9
EINECS NUMBER : 211-430-5
OTHER CHEMICAL NAME(S): 3-Hydroxy-4-methoxybenzoic acid;
MELTING POINT(S): 250 - 253 C

HO(CH₃O)C₆H₃COOH (168.15)

ISOVANILLIC ACID

KYNURENINE

CAS NUMBER : 343-65-7
EINECS NUMBER : 206-445-9
OTHER CHEMICAL NAME(S): 2-Amino-3-(2-aminobenzoyl)propionic acid; 2-Amino-4-(2-aminophenyl)-4-oxobutyric acid;
MELTING POINT(S): 235 C

H₂NC₆H₄COCH₂CHNH₂COOH (208.22)

KYNURENINE

MANDELIC ACID

CAS NUMBER : 90-64-2
EINECS NUMBER :
OTHER CHEMICAL NAME(S): alpha-Hydroxyphenylacetic acid; Amygdalic acid; Uromaline;
MELTING POINT(S): 134 C

C₆H₅CH(OH)COOH (152.15)

MANDELIC ACID

MELLITIC ACID

CAS NUMBER : 517-60-2
EINECS NUMBER : 208-243-6
OTHER CHEMICAL NAME(S): Benzenehexacarboxylic acid;
MELTING POINT(S): > 300 C

C₆(COOH)₄(342.17)

MELLITIC ACID

NAPHTHOIC ACID

CAS NUMBER : 86-55-5 (alpha-), 93-09-4 (beta-)
EINECS NUMBER : 201-681-9 (alpha-), 202-217-8 (beta-)
OTHER CHEMICAL NAME(S): Naphthalenecarboxylic acid; MELTING POINT(S): 160C (alpha-), 185 C (beta-)

C₁₀H₇COOH (172.18)

NAPHTHOIC ACID

PAMOIC ACID

CAS NUMBER : 130-85-8
EINECS NUMBER : 204-998-0
OTHER CHEMICAL NAME(S): 3,3'-Dihydroxy-4,4'-methylenedi-2-naphthoic acid; Embonic acid; 1-Phenoxypropan-2-ol; propylenephenoxythol;
MELTING POINT(S): > 300 C

C₂₃H₁₆O₆(388.38)

PAMOIC ACID

PHTHALIC ACID

CAS NUMBER : 88-99-3
EINECS NUMBER : 201-873-2
OTHER CHEMICAL NAME(S): 1,2-Benzenedicarboxylic acid; o-Benzenedicarboxylic acid; o-Dicarboxybenzene; o-Phthalic Acid;
MELTING POINT(S): 230 C

HOOCC₆H₄COOH (166.13)

PHTHALIC ACID

PIPERONIC ACID

CAS NUMBER : 94-53-1
EINECS NUMBER : 202-342-8
OTHER CHEMICAL NAME(S): 3,4-Methylenedioxybenzoic acid; Piperonylic acid;
MELTING POINT(S): 229 - 231 C

(CH₂O₂)C₆H₃COOH (166.13)

PIPERONIC ACID

PYROMELLITIC ACID

CAS NUMBER : 89-05-4
EINECS NUMBER : 201-879-5
OTHER CHEMICAL NAME(S): 1,2,4,5-Benzenetetracarboxylic acid; Pyromelletic acid;
MELTING POINT(S): 281 - 284 C

C₆H₂(COOH)₄ (254.15)

PYROMELLITIC ACID

RESORCYLIC ACID

CAS NUMBER : 99-10-5 (alpha-), 303-07-1 (gamma-)
EINECS NUMBER : 202-730-7 (alpha-), 206-134-8 (gamma-)
OTHER CHEMICAL NAME(S): Dihydroxybenzoic Acid;
MELTING POINT(S): 236 C (alpha-), 154 C (gamma-)

(HO)₂C₆H₃COOH (154.12)

RESORCYLIC ACID

SALICYLIC ACID

CAS NUMBER : 69-72-7
EINECS NUMBER : 200-712-3
OTHER CHEMICAL NAME(S): 2-Hydroxybenzoic acid; Alcusal; Egocappol; Ionil;
MELTING POINT(S): 159 C

HOC₆H₄COOH (138.12)

SALICYLIC ACID

TEREPHTHALIC ACID

CAS NUMBER : 100-21-0
EINECS NUMBER : 202-830-0
OTHER CHEMICAL NAME(S): Benzene-1,4-dicarboxylic acid; p-benzenedicarboxylic acid; p-Phthalic Acid;
MELTING POINT(S): >300 C

HOOCC₆H₄COOH (166.13)

TEREPHTHALIC ACID

alpha-TOLUIC ACID

CAS NUMBER : 103-82-2
EINECS NUMBER : 203-148-6
OTHER CHEMICAL NAME(S): 2-phenylacetic acid; Benzeneacetic acid;
MELTING POINT(S): 76 C

C₆H₅CH₂COOH

alpha-TOLUIC ACID

TOLUIC ACID

CAS NUMBER : 118-90-1 (o-), 99-04-7 (m-)
EINECS NUMBER : 204-284-9 (o-), 202-723-9 (m-)
OTHER CHEMICAL NAME(S): Methylbenzoic acid; Toluylic acid; o-Methylbenzoate;
MELTING POINT(S): 105 C (o-), 110 C (m-)

CH₃C₆H₄COOH (136.15)

TOLUIC ACID

TRIMELLITIC ACID

CAS NUMBER : 528-44-9
EINECS NUMBER : 208-432-3
OTHER CHEMICAL NAME(S): 1,2,4-Benzenetricarboxylic acid;
MELTING POINT(S): 231 C

C₆H₃(COOH)₃ (210.142)

TRIMELLITIC ACID

TRIMESIC ACID

CAS NUMBER : 554-95-0
EINECS NUMBER : 209-077-7
OTHER CHEMICAL NAME(S): 1,3,5-Benzenetricarboxylic acid; MELTING POINT(S): 380 C

C₆H₃(COOH)₃ (210.142)

TRIMESIC ACID

TROPIC ACID

CAS NUMBER : 529-64-6
EINECS NUMBER : 208-465-3
OTHER CHEMICAL NAME(S): 3-Hydroxy-2-phenylpropionic acid; 3-Hydroxy-2-phenylpropanoic acid; alpha-(Hydroxymethyl)benzeneacetic acid; alpha-(Hydroxymethyl)phenylacetic acid;
MELTING POINT(S): 117 - 120 C

C₆H₅(HOCH₂)CHCOOH (166.18)

TROPIC ACID

TYROSINE

CAS NUMBER : 556-03-6
EINECS NUMBER : 209-113-1
OTHER CHEMICAL NAME(S): 2-amino-3-(p-hydroxyphenyl) propionic acid; 2-Amino-3-(4-hydroxyphenyl) propanoic acid; 3-(p-hydroxyphenyl)alanine; 3-(4-Hydroxyphenyl)-alanine; MELTING POINT(S): 325 C

(HOC₆H₄)CH₂CH(NH₂)COOH (181.19)

VANILLIC ACID

CAS NUMBER : 121-34-6
EINECS NUMBER : 204-466-8
OTHER CHEMICAL NAME(S): 4-Hydroxy-3-methoxybenzoic acid; 4-Hydroxy-3-methoxybenzoic acid;
MELTING POINT(S): 209 - 213 C

HO(CH₃O)C₆H₃COOH (168.15)

VANILLIC ACID

VERATRIC ACID

CAS NUMBER : 93-07-2
EINECS NUMBER : 202-215-7
OTHER CHEMICAL NAME(S): 3,4-Dimethoxybenzoic acid; MELTING POINT(S): 179 - 182 C

(CH₃O)₂C₆H₃COOH

VERATRIC ACID