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3-Hydroxy-4,5-dimethoxybenzoic acid

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Name

3-Hydroxy-4,5-dimethoxybenzoic acid

EINECS 217-630-9
CAS No. 1916-08-1 Density 1.335g/cm3
PSA 75.99000 LogP 1.10760
Solubility N/A Melting Point 197-198°C
Formula C9H10 O5 Boiling Point 374.2°Cat760mmHg
Molecular Weight 198.175 Flash Point 152.6°C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1916-08-1 (3-Hydroxy-4,5-dimethoxybenzoic acid) Hazard Symbols
Synonyms

Veratricacid, 5-hydroxy- (6CI,7CI,8CI); 3,4-Dimethoxy-5-hydroxybenzoic acid;3-Hydroxy-4,5-dimethoxybenzoic acid; 5-Hydroxy-3,4-dimethoxybenzoic acid;Gallic acid, 3,4-dimethyl ether; NSC 19885

Article Data 27

3-Hydroxy-4,5-dimethoxybenzoic acid Chemical Properties

Molecule structure of 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1):

IUPAC Name: 3-Hydroxy-4,5-dimethoxybenzoic acid 
Molecular Weight: 198.1727 [g/mol]
Molecular Formula: C9H10O5 
Index of Refraction: 1.566
Molar Refractivity: 48.42 cm3
Molar Volume: 148.3 cm3
Surface Tension: 51.6 dyne/cm
Density: 1.335 g/cm3 
Melting Point: 197-198 °C
Flash Point: 152.6 °C
Enthalpy of Vaporization: 65.57 kJ/mol
Boiling Point: 374.2 °C at 760 mmHg
Vapour Pressure: 2.91E-06 mmHg at 25 °C
XLogP3: 1
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 198.052823
MonoIsotopic Mass: 198.052823
Topological Polar Surface Area: 76
Heavy Atom Count: 14
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C(=O)O
InChI: InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
InChIKey: WFIBQVFJXGQICQ-UHFFFAOYSA-N
EINECS: 217-630-9
Product Categories of 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

3-Hydroxy-4,5-dimethoxybenzoic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

3-Hydroxy-4,5-dimethoxybenzoic acid Specification

 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1) is also named as 3,4-Dimethoxy-5-hydroxybenzoic acid ; Benzoic acid, 3-hydroxy-4,5-dimethoxy- ; 3,4-Dimethoxy-5-hydroxy benzoic acid ; 3-Hydroxy-4,5-dimethoxy-benzoic acid ; 5-Hydroxy-3,4-Dimethoxybenzoic Acid ; 5-Hydroxyveratric acid .

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