4-羟基苯甲酸

Description

4-Hydroxybenzoic Acid · CAS 99-96-7 · C7H6O3. UNII JG8Z55Y12H. Boiling Point: 334.00 to 335.00 °C. @ 760.00 mm Hg; Melting Point: 214.5 °C; Melting Point: 213.00 to 215.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	99-96-7
PubChem CID	135
Molecular formula	C7H6O3
IUPAC name	4-hydroxybenzoic acid
UNII (FDA)	JG8Z55Y12H
FEMA number	3986
JECFA number	957

Computed Descriptors

Molecular Weight	138.12
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.031694049
Monoisotopic Mass	138.031694049
Topological Polar Surface Area	57.5
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	334.00 to 335.00 °C. @ 760.00 mm Hg
Melting Point	214.5 °C
Melting Point	213.00 to 215.00 °C. @ 760.00 mm Hg
Solubility	In water, 5000 mg/L at 25 °C
Solubility	5.0 mg/mL
Density	1.46 g/cu cm @ 25 °C
Density	1.46 @25 °C
Vapor Pressure	0.00000019 [mmHg]
Vapor Pressure	0.00000019 [mm Hg] @25 °C
LogP	log Kow=1.58

Physical description & handling notes

• Other Solid; Dry Powder; CBI
• Colorless solid; [Hawley] White powder; [MSDSonline]
• Solid
• White crystalline powder; faint nutty odour
• White granular crystalline powder consisting of monoclinic prisms
• Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 909-JECFA 57/84
GHS notification summary	0.5% (2 / 425)

GHS Hazard Classification

GHS notification summary	0.5% (2 / 425)
Reported hazard statements	H315 (12.2%), H318 (85.9%), H319 (13.4%), H335 (75.3%)

Documented Uses

• CIR ingredient: 4-Hydroxybenzoic Acid
• Intermediate, synthetic drugs, food preservative. Its methyl, propyl and butyl esters are used for cosmetics and pharmaceuticals.
• Intermediate for dyes, fungicides.
• Corrosion inhibitor, anti-oxidant and emulsifier.
• ... Used in polymers as a component in the manufacture of polyester and as a constituent of liquid crystal polymers.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

4-HYDROXYBENZOIC ACID; 99-96-7; p-Hydroxybenzoic acid; p-Salicylic acid; 4-Carboxyphenol; Benzoic acid, 4-hydroxy-; Benzoic acid, p-hydroxy-; para-Hydroxybenzoic acid; p-Oxybenzoesaure; DTXSID3026647; JG8Z55Y12H; NSC-4961; DTXCID806647; FEMA NO. 3986; CHEBI:30763; CHEBI:17879

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Hydroxybenzoic Acid?

CAS 99-96-7; molecular formula C7H6O3; molecular weight — g/mol.

What other names is 4-Hydroxybenzoic Acid known by?

4-HYDROXYBENZOIC ACID, 99-96-7, p-Hydroxybenzoic acid, p-Salicylic acid, 4-Carboxyphenol, Benzoic acid, 4-hydroxy-.

What is the regulatory status of 4-Hydroxybenzoic Acid?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 4-Hydroxybenzoic Acid classified as hazardous?

0.5% of GHS notifications report no hazard classification (2 of 425).

What are the key physical properties of 4-Hydroxybenzoic Acid?

Boiling Point: 334.00 to 335.00 °C. @ 760.00 mm Hg; Melting Point: 214.5 °C; Melting Point: 213.00 to 215.00 °C. @ 760.00 mm Hg; Solubility: In water, 5000 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.