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4707-46-4

Basic Information
CAS No.: 4707-46-4
Name: 2,4-DIHYDROXY-3,6-DIMETHYLBENZOIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 4707-46-4 (2,4-DIHYDROXY-3,6-DIMETHYLBENZOIC ACID)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: 3-METHYLORSELLINIC ACID;3,6-DIMETHYL-2,4-DIHYDROXYBENZOIC ACID;Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-;2,4-DIHYDROXY-3,6-DIMETHYLBENZOIC ACID 99+%;
Density: 1.386g/cm3
Melting Point: 186-189°C
Boiling Point: 407.4°C at 760 mmHg
Flash Point: 214.3°C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-36/37
PSA: 77.76000
LogP: 1.41280
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  • 2,4-DIHYDROXY-3,6-DIMETHYLBENZOIC ACID  CAS NO.4707-46-4

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    Molecular Formula C9H10O4 Molecular Weight 182.17 CAS Registry Number 4707-46-4 Name2,4-Dihydroxy-3,6-dimethylbenzoic acid…

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Chemistry


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

Safety Profile

Hazard Codes: IrritantXi
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.

Specification

 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 .