4-Methoxybenzoic Acid
- IUPAC name
- 4-methoxybenzoic acid
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15 g/mol
- Exact mass
- 152.047344113 Da
- XLogP3
- 2.0
- Topological polar surface area
- 46.5 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:40813
- ChEMBL:CHEMBL21932
- EPA DTXSID:DTXSID4059205
- PubMed:23055639
- PubMed:22695988
- PubMed:22361689
- PubMed:22272147
- PubMed:22199934
- PubMed:22199870
- PubMed:22091194
- PubMed:22065142
- PubMed:21954326
- PubMed:21852187
- PubMed:21837229
- PubMed:21837186
Evidence from additional scientific databases
EMBL-EBI ChEBI
4-methoxybenzoic acid
A methoxybenzoic acid substituted with a methoxy group at position C-4.
- Formula
- C8H8O3
- Average mass
- 152.149 g/mol
- Monoisotopic mass
- 152.04734 Da
- Formal charge
- 0
- methoxybenzoic acid — is a (CHEBI:25238)
- plant metabolite — has role (CHEBI:76924)
- benzoic acid — has functional parent (CHEBI:30746)
- plant metabolite — has role (CHEBI:76924)
- methoxybenzoic acid — is a (CHEBI:25238)
- 4-methoxybenzoate — is conjugate acid of (CHEBI:16639)
Additional curated names
Cross-references from this source
- CAS: 100-09-4 — ChemIDplus
- CAS: 100-09-4 — ChemIDplus
- CAS: 100-09-4 — NIST Chemistry WebBook
- CAS: 100-09-4 — KEGG COMPOUND
- CAS: 1335-08-6 — ChemIDplus
- REGISTRY_NUMBER: 3499 — Gmelin
- REGISTRY_NUMBER: 508910 — Reaxys
- REGISTRY_NUMBER: 508910 — Beilstein
- MANUAL_X_REF: ANN — PDBeChem
- MANUAL_X_REF: C00029536 — KNApSAcK
- MANUAL_X_REF: C02519 — KEGG COMPOUND
- MANUAL_X_REF: CPD-1076 — MetaCyc
- MANUAL_X_REF: DB02795 — DrugBank
- MANUAL_X_REF: HMDB0001101 — HMDB
- MANUAL_X_REF: P-Anisic_acid — Wikipedia
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 276.5 °C Source: DrugBank
- Boiling Point: 275-280 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- pKa: 4.47 (at 25 °C) Source: DrugBank
- LogP: 1.96 Source: DrugBank
- LogP: 1.96 Source: Human Metabolome Database (HMDB)
- Melting Point: 185 °C Source: DrugBank
- Melting Point: 185 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: white crystals with practically no odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 530 mg/L (at 37 °C) Source: DrugBank
- Solubility: 0.53 mg/mL at 37 °C Source: Human Metabolome Database (HMDB)
- Solubility: soluble in boiling water, organic solvents Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: freely soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 0.0015 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Note: This chemical does not meet GHS hazard criteria for 57% (172 of 302) of all reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (38.4%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (43%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (40.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (17.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 302 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 172 of 302 reports by companies.; There are 14 notifications provided by 130 of 302 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Sources/Uses: Used as flavoring agent or adjuvant; [FDA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.