4-羟基-3-甲氧基苯甲酸

Description

4-Hydroxy-3-methoxybenzoic acid · CAS 121-34-6 · C8H8O4. UNII GM8Q3JM2Y8. Melting Point: 211.5; Melting Point: 211.5 °C; Solubility: 1500.

Identification

CAS Registry Number	121-34-6
PubChem CID	8468
Molecular formula	C8H8O4
IUPAC name	4-hydroxy-3-methoxybenzoic acid
UNII (FDA)	GM8Q3JM2Y8
FEMA number	3988
JECFA number	959

Computed Descriptors

Molecular Weight	168.15
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	66.8
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Melting Point	211.5
Melting Point	211.5 °C
Solubility	1500
Solubility	1.5 mg/mL at 14 °C
Vapor Pressure	0.0000171 [mmHg]
LogP	1.43
LogP	1.46
Dissociation Constants	4.51 (at 25 °C)

Physical description & handling notes

• White odorless solid; [Merck Index] White to beige powder; [Acros Organics MSDS]
• Solid
• White to beige powder or needle; vanilla like odour
• slightly soluble in water; soluble in organic solvents
• soluble (in ethanol)
• 136.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Astringent, Vanilla No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	72.4% (97 / 134)

GHS Hazard Classification

GHS notification summary	72.4% (97 / 134)
Reported hazard statements	H315 (27.6%), H319 (27.6%), H335 (26.9%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzoic acid, 4-hydroxy-3-methoxy-: ACTIVE

Synonyms

Vanillic acid; 4-HYDROXY-3-METHOXYBENZOIC ACID; 121-34-6; Acide vanillique; Benzoic acid, 4-hydroxy-3-methoxy-; 3-Methoxy-4-hydroxybenzoic acid; GM8Q3JM2Y8; DTXSID6059522; Acid, 4-Hydroxy-3-methoxybenzoic; NSC-3987; NSC-674322; DTXCID1033668; FEMA NO. 3988; CHEBI:30816; Acid, Vanillic; 4 Hydroxy 3 methoxybenzoic Acid

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Hydroxy-3-methoxybenzoic acid?

CAS 121-34-6; molecular formula C8H8O4; molecular weight — g/mol.

What other names is 4-Hydroxy-3-methoxybenzoic acid known by?

Vanillic acid, 4-HYDROXY-3-METHOXYBENZOIC ACID, 121-34-6, Acide vanillique, Benzoic acid, 4-hydroxy-3-methoxy-, 3-Methoxy-4-hydroxybenzoic acid.

What is the regulatory status of 4-Hydroxy-3-methoxybenzoic acid?

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

Is 4-Hydroxy-3-methoxybenzoic acid classified as hazardous?

72.4% of GHS notifications report no hazard classification (97 of 134).

What are the key physical properties of 4-Hydroxy-3-methoxybenzoic acid?

Melting Point: 211.5; Melting Point: 211.5 °C; Solubility: 1500; Solubility: 1.5 mg/mL at 14 °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.