对茴香酸

Description

4-Anisic acid is identified by CAS 100-09-4, molecular formula C8H8O3 and molecular weight 152.05 g/mol. UNII 4SB6Y7DMM3; ChEBI 40813; InChIKey ZEYHEAKUIGZSGI-UHFFFAOYSA-N. Boiling Point: 276.5; Boiling Point: 275-280 °C; Melting Point: 185.

Identification

CAS Registry Number	100-09-4
PubChem CID	7478
Molecular formula	C8H8O3
Molecular weight	152.05 g/mol
IUPAC name	4-methoxybenzoic acid
InChIKey	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
UNII (FDA)	4SB6Y7DMM3
ChEBI ID	CHEBI:40813
FEMA number	3945
JECFA number	883

Computed Descriptors

Molecular Weight	152.15
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	46.5
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	276.5
Boiling Point	275-280 °C
Melting Point	185
Melting Point	185 °C
Solubility	530
Solubility	0.53 mg/mL at 37 °C
Vapor Pressure	0.0015 [mmHg]
LogP	1.96
LogP	1.88
Ionization Efficiency	1.34

Physical description & handling notes

• Solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]
• Solid
• white crystals with practically no odour
• soluble in boiling water, organic solvents
• freely soluble (in ethanol)
• Positive

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory
GHS notification summary	57% (172 / 302)

GHS Hazard Classification

GHS notification summary	57% (172 / 302)
Reported hazard statements	H302 (38.4%), H315 (43%), H319 (40.4%), H335 (17.5%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 14 consumer products that contain p-Anisic acid in the following categories is provided:
• Benzoic acid, 4-methoxy-: ACTIVE

Synonyms

4-METHOXYBENZOIC ACID; p-Anisic acid; 100-09-4; p-Methoxybenzoic acid; Draconic acid; Benzoic acid, 4-methoxy-; 4-Anisic acid; ANISIC ACID, PARA; para-anisic acid; 4SB6Y7DMM3; NSC-32742; DTXSID4059205; FEMA NO. 3945; CHEBI:40813; RefChem:44617; DTXCID0032445

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Anisic acid?

CAS 100-09-4; molecular formula C8H8O3; molecular weight 152.05 g/mol.

What other names is 4-Anisic acid known by?

4-METHOXYBENZOIC ACID, p-Anisic acid, 100-09-4, p-Methoxybenzoic acid, Draconic acid, Benzoic acid, 4-methoxy-.

What is the regulatory status of 4-Anisic acid?

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

Is 4-Anisic acid classified as hazardous?

57% of GHS notifications report no hazard classification (172 of 302).

What are the key physical properties of 4-Anisic acid?

Boiling Point: 276.5; Boiling Point: 275-280 °C; Melting Point: 185; Melting Point: 185 °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.