| Identification | More | [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 | Back Directory | [Appearance]
White to ivory crystalline powder | [Melting point ]
213-217 °C (lit.) | [Boiling point ]
213.5°C (rough estimate) | [bulk density]
600kg/m3 | [density ]
1,46 g/cm3 | [vapor pressure ]
0Pa at 20℃ | [FEMA ]
3986 | [refractive index ]
1.4600 (estimate) | [Fp ]
199 °C
| [storage temp. ]
Store below +30°C. | [solubility ]
methanol: soluble5%, clear to slightly hazy, colorless to faintly yellow | [form ]
Crystalline Powder | [pka]
4.48(at 19℃) | [color ]
White to ivory | [Odor]
at 100.00 %. phenolic nutty | [PH]
3.3 (1g/l, H2O, 20℃) | [biological source]
synthetic | [Odor Type]
phenolic | [Water Solubility ]
5 g/L (20 ºC) | [Usage]
Acetylsalicylic Acid Impurity A | [JECFA Number]
957 | [Merck ]
14,4812 | [BRN ]
970950 | [Henry's Law Constant]
1.4×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Cosmetics Ingredients Functions]
PRESERVATIVE
FRAGRANCE | [Cosmetic Ingredient Review (CIR)]
4-Hydroxybenzoic acid (99-96-7) | [InChI]
1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | [InChIKey]
FJKROLUGYXJWQN-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(O)cc1 | [LogP]
0.878 at 22℃ | [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 | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H318-H335 | [Precautionary statements ]
P261-P271-P280-P304+P340+P312-P305+P351+P338-P403+P233 | [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 | [REACH Registrations]
Active | [HS Code ]
29182930 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Dam. 1
STOT SE 3 | [Hazardous Substances Data]
99-96-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg |
| Hazard Information | Back Directory | [Description]
4-Hydroxybenzoic acid, also known as p-hydroxybenzoic acid or 99-96-7, 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 alcohol and acetone. It is isomeric with salicylic acid (2-hydroxybenzoic acid), a forerunner to aspirin, and 3-hydroxybenzoic acid. The esters of 4-hydroxybenzoic acid, also called parabens, are widely used as preservatives in cosmetics and some ophthalmic solutions. | [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. | [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. | [Definition]
ChEBI: A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | [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. | [Flammability and Explosibility]
Nonflammable | [storage]
Store at -20°C | [Purification Methods]
Crystallise the hydroxyacid from water. [Beilstein 10 IV 345.] |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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