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| CAS No.: | 1916-08-1 |
|---|---|
| Name: | 3-Hydroxy-4,5-dimethoxybenzoic acid |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C9H10 O5 |
| Molecular Weight: | 198.175 |
| 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 |
| EINECS: | 217-630-9 |
| Density: | 1.335g/cm3 |
| Melting Point: | 197-198°C |
| Boiling Point: | 374.2°Cat760mmHg |
| Flash Point: | 152.6°C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 75.99000 |
| LogP: | 1.10760 |
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Chemistry
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
Safety Profile
Hazard Codes: 
Xi
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
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 .