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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 | Hazard Symbols | Xi | |
Synonyms |
o-Veratricacid (6CI,7CI,8CI);Benzoicacid, 2,3-dimethoxy-;NSC 406133; |
Article Data | 34 |
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 (CAS NO.1521-38-6) is used as pharmaceutical intermediates.
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. |
Hazard Codes: Xi
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 (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.