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3-Methoxybenzoic acid

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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)
refractive index 
1.4945 (estimate)
FEMA 
3944 | 3-METHOXYBENZOIC ACID
Flash point:
170-172°C/10mm
storage temp. 
Sealed in dry,Room Temperature
solubility 
95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
form 
Powder
pka
4.10(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 Number
882
BRN 
508838
InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-N
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)
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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
Toxicity
LDLo ipr-mus: 250 mg/kg CBCCT* 6,144,54

MSDS

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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.]

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