Introduction：Basic information about 3-Methoxybenzoic acid CAS 586-38-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Methoxybenzoic acid Basic information
| Product Name: | 3-Methoxybenzoic acid |
| Synonyms: | M-ANISIC ACID;M-ANISIC ACID, M-METHYLSALICYLIC ACID;3-METHOXYBENZOIC ACID;3-ANISIC ACID;AURORA 4252;FEMA 3944;LABOTEST-BB LT00786619;M-METHOXYBENZOIC ACID |
| 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 |
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3-Methoxybenzoic acid Chemical Properties
| Melting point | 105-107 °C (lit.) |
| Boiling point | 170-172 °C/10 mmHg (lit.) |
| density | 1.2143 (rough estimate) |
| FEMA | 3944 | 3-METHOXYBENZOIC ACID |
| refractive index | 1.4945 (estimate) |
| Fp | 170-172°C/10mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow |
| pka | 4.10(at 25℃) |
| form | Powder |
| color | Off-white to slightly yellow-beige |
| biological source | synthetic |
| Water Solubility | Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25°C) and methanol. |
| JECFA Number | 882 |
| BRN | 508838 |
| InChI | 1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| SMILES | COc1cccc(c1)C(O)=O |
| LogP | 2.02 |
| CAS DataBase Reference | 586-38-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3-methoxy-(586-38-9) |
| EPA Substance Registry System | Benzoic 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 |
| F | 3 |
| TSCA | TSCA listed |
| HS Code | 29189090 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | LDLo ipr-mus: 250 mg/kg CBCCT* 6,144,54 |
3-Methoxybenzoic acid Usage And Synthesis
| Chemical Properties | white to light yellow crystal powder |
| Chemical Properties | 3-Methoxybenzoic acid is practically odorless. |
| Uses | 3-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 |
| Definition | ChEBI: 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 Description | 3-Methoxybenzoic acid is an important intermediate in the synthesis of natural products. |
| Safety Profile | Poison by intraperitoneal route.When heated to decomposition it emits acrid smoke andirritating fumes. |
| Purification Methods | Crystallise 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.] |
3-Methoxybenzoic acid Preparation Products And Raw materials
| Raw materials | Dimethyl sulfate-->3-Hydroxybenzoic acid |
| Preparation Products | N-(2-[4-(4-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL)-3-METHOXYBENZAMIDE-->2,5-BIS(3-METHOXYPHENYL)-1,3,4-OXADIAZOLE-->METHYL 2-BROMO-5-METHOXYBENZOATE-->6-METHOXY-3 H-ISOBENZOFURAN-1-ONE-->3-Methoxy-4-methylbenzoic acid-->3-Methoxy-4-nitrobenzoic acid-->4-Amino-3-methoxybenzoic acid-->4-Iodo-3-methoxybenzenecarboxylic acid-->7-Methoxy-isoquinolin-1(2H)-one-->3-Methoxybenzoylacetonitrile-->4-Methoxyphthalic acid-->Methyl 3-methoxybenzoate-->3-HYDROXYBENZOPHENONE-->2-CHLORO-5-METHOXYBENZOIC ACID-->3-Iodoanisole-->m-Anisyl alcohol-->3-(1,3-DIOXAN-2-YL)-3'-METHOXYPROPIOPHENONE |
