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99-96-7

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Identification

Name
4-Hydroxybenzoic acid
CAS
99-96-7
Synonyms
4-hydroxybenzenecarboxylic acid
4-HYDROXYBENZOIC ACID
ACETYLSALICYLIC ACID IMPURITY A
ACETYLSALISYLIC ACID IMP A
AKOS BBS-00003776
FEMA 3986
HYDROXYBENZOIC ACID, 4-
PARA HYDROXY BENZOIC ACID
PHBA
P-HYDROXYBENZOIC ACID
RARECHEM AL BO 0112
4-Carboxyphenol
4-hydroxy
4-hydroxy-benzoicaci
acidop-idrossibenzoico
Benzoic acid, p-hydroxy-
benzoicacid,4-hydroxy
Benzoicacid,4-hydroxy-
Hydroxybenzoic acid, para
Kyselina 4-hydroxybenzoova
EINECS(EC#)
202-804-9
Molecular Formula
C7H6O3
MDL Number
MFCD00002547
Molecular Weight
138.12
MOL File
99-96-7.mol

Chemical Properties

Appearance
White to ivory crystalline powder
Melting point 
213-217 °C (lit.)
mp 
213-217 °C(lit.)

Boiling point 
213.5°C (rough estimate)
density 
1,46 g/cm3
refractive index 
1.4600 (estimate)
FEMA 
3986
Fp 
199 °C
storage temp. 
Store below +30°C.
solubility 
methanol: soluble5%, clear to slightly hazy, colorless to faintly yellow
pka
4.48(at 19℃)
form 
Crystalline Powder
color 
White to ivory
PH
3.3 (1g/l, H2O, 20℃)
Water Solubility 
5 g/L (20 ºC)
Usage
Acetylsalicylic Acid Impurity A
JECFA Number
957
Merck 
14,4812
BRN 
970950
InChIKey
FJKROLUGYXJWQN-UHFFFAOYSA-N
CAS DataBase Reference
99-96-7(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 4-hydroxy-(99-96-7)
EPA Substance Registry System
99-96-7(EPA Substance)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany 
1

RTECS 
DH1925000

Autoignition Temperature
>250 °C
TSCA 
Yes
HS Code 
29182930
Hazardous Substances Data
99-96-7(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Hazard Information

Description
4-Hydroxybenzoic acid, also known as p-hydroxybenzoic acid (PHBA), is a monohydroxybenzoic acid, a phenolic derivative of benzoic acid. It is a white crystalline solid that is slightly soluble in water and chloroform but more soluble in polar organic solvents such as alcohols and acetone. 4-Hydroxybenzoic acid is primarily known as the basis for the preparation of its esters, known as parabens, which are used as preservatives in cosmetics and some ophthalmic solutions. It is isomeric with 2-hydroxybenzoic acid, known as salicylic acid, a precursor to aspirin, and with 3-hydroxybenzoic acid.
4-Hydroxybenzoic acid belongs to the class of aromatic acids, which may be used as a preservative in cosmetics, pharmaceuticals and as a synthetic flavoring agent in food products.
Chemical Properties
4-Hydroxybenzoic acid is an odorless white crystalline astringent powder. In pure form, it imparts a sweetish taste at first, which quickly becomes acrid and disagreeable
Chemical Properties
WHITE TO BEIGE CRYSTALLINE POWDER
Occurrence
Reportedly present in apple juice, black currant, cheese, beer, grape brandy, rum, sherry, wines, cocoa, peanut, soybean and wort.
Uses
In organic. syntheses; intermediate for dyes, fungicides.
Uses
p-Hydroxybenzoic acid is of significant commercial importance. The most familiar application is the use of several of its esters as preservatives, known as parabens. Also of interest is the use in liquid crystal polymer applications.
Uses
Acetylsalicylic Acid Impurity A
Definition
ChEBI: A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.
Application
4-Hydroxybenzoic acid can be used as a starting material to synthesize organic intermediates such as 4-acetoxybenzoic acid and 4-hydroxy-3,5-diiodobenzoic acid.
4-Hydroxybenzoic acid is used as an intermediate for dyes, antiseptics and active pharmaceutical ingredients. It is also used as a food preservative, corrosion inhibitor, anti-oxidant and an emulsifier. It reacts with 6-hydroxynaphthalene-2-carboxylic acid to prepare aromatic polyester called Vectran fiber. It acts as a precursor to prepare p-hydroxyphenylbenzoate, p-acetoxybenzoyl chloride and 4,4′-dihydroxybenzophenone. Further, it is used in paint additives, coating additives, processing aids, electrical and electronic products. In addition to this, it acts as a preservative in cosmetics and some ophthalmic solutions.
Preparation
Prepared from p-bromophenol or p-hydroxybenzaldehyde, or from saponification of methyl salicylate, a major component of oil of wintergreen.
Aroma threshold values
Detection at 5 ppm (water)
Synthesis Reference(s)
Journal of the American Chemical Society, 106, p. 174, 1984 DOI: 10.1021/ja00313a035
The Journal of Organic Chemistry, 29, p. 3459, 1964 DOI: 10.1021/jo01035a003
General Description
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. 4-Hydroxybenzoic acid belongs to the class of aromatic acids, which may be used as a preservative in cosmetics, pharmaceuticals and as a synthetic flavoring agent in food products.

Purification Methods
Crystallise the hydroxyacid from water. [Beilstein 10 IV 345.]

Spectrum Detail

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