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2,3-Dimethoxybenzoic acid

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Name

2,3-Dimethoxybenzoic acid

EINECS 216-188-4
CAS No. 1521-38-6 Density 1.214 g/cm3
PSA 55.76000 LogP 1.40200
Solubility slightly soluble in water Melting Point 120-122 °C(lit.)
Formula C9H10O4 Boiling Point 304.4 °C at 760 mmHg
Molecular Weight 182.176 Flash Point 121.6 °C
Transport Information N/A Appearance light beige fine crystalline powder
Safety 26-37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1521-38-6 (2,3-Dimethoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

o-Veratricacid (6CI,7CI,8CI);Benzoicacid, 2,3-dimethoxy-;NSC 406133;

Article Data 34

2,3-Dimethoxybenzoic acid Chemical Properties

Molecule structure of 2,3-Dimethoxybenzoic acid (CAS NO.1521-38-6):

IUPAC Name: 2,3-Dimethoxybenzoic acid
Molecular Formula: C9H10O4
Formula Weight: 182.17 g/mol
Melting Point: 120-122 °C(lit.)
Flash Point: 121.6 °C 
Boiling Point: 304.4 °C at 760 mmHg 
Density: 1.214 g/cm3 
Vapour Pressure: 0.000385 mmHg at 25 °C 
Water Solubility: slightly soluble
Index of Refraction: 1.532 
XLogP3: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 182.057909
MonoIsotopic Mass: 182.057909
Topological Polar Surface Area: 55.8
Heavy Atom Count: 13 
Canonical SMILES: COC1=CC=CC(=C1OC)C(=O)O
InChI: InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey: FODBVCSYJKNBLO-UHFFFAOYSA-N
EINECS: 216-188-4
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;BUILDING BLOCKS;BenzoicAcidDerivative;Benzoic acid;Organic acids;C9;Carbonyl Compounds;Carboxylic Acids

2,3-Dimethoxybenzoic acid Uses

 2,3-Dimethoxybenzoic acid (CAS NO.1521-38-6) is used as pharmaceutical intermediates.

2,3-Dimethoxybenzoic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
 
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.

2,3-Dimethoxybenzoic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DG8598700
Hazard Note: Irritant
HS Code: 29189090

2,3-Dimethoxybenzoic acid Specification

 2,3-Dimethoxybenzoic acid (CAS NO.1521-38-6) is also named as 4-10-00-01415 (Beilstein Handbook Reference) ; AI3-01432 ; BRN 2210858 ; NSC 406133 ; o-Veratric acid ; Benzoic acid, 2,3-dimethoxy- ; o-Veratric acid (6CI,7CI,8CI) . 2,3-Dimethoxybenzoic acid (CAS NO.1521-38-6) is light beige fine crystalline powder.

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