3-Methoxybenzoic acid

3-Methoxybenzoic acid Basic information
Product Name:3-Methoxybenzoic acid
Synonyms:M-ANISIC ACID, M-METHYLSALICYLIC ACID;3-METHOXYBENZOIC ACID;3-ANISIC ACID;AURORA 4252;FEMA 3944;LABOTEST-BB LT00786619;OTAVA-BB BB0109160003;RARECHEM AL BO 0041
CAS:586-38-9
MF:C8H8O3
MW:152.15
EINECS:209-574-9
Product Categories:carboxylic acid;FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;BenzoicAcidDerivative;Benzoic acid;Organic acids;Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates;acid Flavor;1
Mol File:586-38-9.mol
3-Methoxybenzoic acid Structure
3-Methoxybenzoic acid Chemical Properties
Melting point 105-107 °C (lit.)
Boiling point 170-172 °C/10 mmHg (lit.)
density 1.2143 (rough estimate)
refractive index 1.4945 (estimate)
FEMA 3944 | 3-METHOXYBENZOIC ACID
Fp 170-172°C/10mm
storage temp. Sealed in dry,Room Temperature
solubility 95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
form Powder
pka4.10(at 25℃)
color Off-white to slightly yellow-beige
Water Solubility Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25°C) and methanol.
JECFA Number882
BRN 508838
InChIKeyXHQZJYCNDZAGLW-UHFFFAOYSA-N
LogP2.02
CAS DataBase Reference586-38-9(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 3-methoxy-(586-38-9)
EPA Substance Registry SystemBenzoic acid, 3-methoxy- (586-38-9)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-22-20/21/22
Safety Statements 26-36-24/25
WGK Germany 3
RTECS BZ4375000
3
TSCA Yes
HS Code 29189090
ToxicityLDLo ipr-mus: 250 mg/kg CBCCT* 6,144,54
MSDS Information
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3-Methoxybenzoic acid English
SigmaAldrich English
ACROS English
ALFA English
3-Methoxybenzoic acid Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder
Chemical Properties3-Methoxybenzoic acid is practically odorless.
Uses3-Methoxybenzoic acid is used in the synthesis and characterization of 3-methoxybenzoates of europium (III) and gadolinium (III)1. It was used in conversion of aromatic carboxylic acids into methyl esters and reduction to the corresponding primary alcohols using a sodium borohydride-THF-methanol system
DefinitionChEBI: 3-methoxybenzoic acid is a methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3. It has a role as a flavouring agent and a human urinary metabolite. It is functionally related to a 3-hydroxybenzoic acid. It is a conjugate acid of a 3-methoxybenzoate.
General Description3-Methoxybenzoic acid is an important intermediate in the synthesis of natural products.
Safety ProfilePoison by intraperitoneal route.When heated to decomposition it emits acrid smoke andirritating fumes.
Purification MethodsCrystallise m-anisic acid from H2O (m 109o, 110.5o) or EtOH/water. The S-benzylisothiuronium salt has m 176o (from EtOH). [Beilstein 10 II 80, 10 III 244, 10 IV 316.]
2-Methoxybenzoic acid 2-Amino-4-nitro-5-methoxybenzoic Acid 4-ACETAMIDO-5-CHLORO-2-METHOXYBENZOIC ACID 4-CHLORO-3-METHOXYBENZOIC ACID Ethyl 2-(Chlorosulfonyl)acetate methyl 2-hydroxy-6-methoxybenzoic acid Ascoric Acid Methyl 5-formyl-2-methoxybenzoate 5-Formyl-2-methoxybenzoic Acid METHYL 3-CHLORO-4-METHOXYBENZOATE 3-Hydroxybenzoic acid m-Anisyl alcohol ETHYL O-CARBOETHOXYMETHYLSALICYLATE 4,5-DIFLUORO-3-METHOXYBENZOIC ACID 3-(METHOXYMETHOXY)BENZALDEHYDE 4,5-DIHYDROXY-3-METHOXYBENZOIC ACID 4-BROMO-2-METHOXYBENZOIC ACID METHYL ESTER 4-DIMETHYLAMINO-2-METHOXYBENZOIC ACID ETHYL ESTER

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