Systematic Name: 2,4-Dihydroxy-3,6-dimethylbenzoic acid
SMILES: O=C(O)c1c(cc(O)c(c1O)C)C
InChI: InChI=1/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)
InChIKey: VHNLJRRECIZZPX-UHFFFAOYAS
Empirical Formula: C9H10O4
Molecular Weight: 182.1733
Nominal Mass: 182
Average Mass: 182.1733
Monoisotopic Mass: 182.057909
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 3
Index of Refraction: 1.627
Molar Refractivity: 46.59 cm3
Molar Volume: 131.3 cm3
Surface Tension: 66.1 dyne/cm
Density: 1.386 g/cm3
Flash Point: 214.3 °C
Enthalpy of Vaporization: 69.51 kJ/mol
Boiling Point: 407.4 °C at 760 mmHg
Vapour Pressure: 2.29E-07 mmHg at 25 °C
Melting Point of 2,4-Dihydroxy-3,6-dimethylbenzoic acid (CAS NO.4707-46-4): 186-189 °C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements of 2,4-Dihydroxy-3,6-dimethylbenzoic acid (CAS NO.4707-46-4): 26-36-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37:Wear suitable protective clothing and gloves.
2,4-Dihydroxy-3,6-dimethylbenzoic acid (CAS NO.4707-46-4), its Synonyms are Benzoic acid, 2,4-dihydroxy-3,6-dimethyl- ; 3-Methylorsellinic acid ; 3,6-Dimethyl-2,4-dihydroxybenzoic acid .
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