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4463-02-9

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Basic Information
CAS No.: 4463-02-9
Name: 2,4,6-TRIHYDROXY-1,3-DIMETHYL BENZENE
Article Data: 37
Molecular Structure:
Molecular Structure of 4463-02-9 (2,4,6-TRIHYDROXY-1,3-DIMETHYL BENZENE)
Formula: C8H10O3
Molecular Weight: 154.166
Synonyms: Phloroglucinol,dimethyl- (6CI,8CI);1,3,5-Trihydroxy-2,6-dimethylbenzene;2,4-Dimethyl-1,3,5-benzenetriol;2,4-Dimethylphloroglucinol;2,6-Dimethylphloroglucinol;Dimethylphloroglucinol;m-Xylene-2,4,6-triol;2,4-dimethylbenzene-1,3,5-triol;2,4,6-Trihydroxy-1,3-dimethyl benzene;
EINECS: 224-725-9
Density: 1.314 g/cm3
Melting Point: 162oC
Boiling Point: 304.3 °C at 760 mmHg
Flash Point: 151.9 °C
PSA: 60.69000
LogP: 1.42020
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Specification

The 1,3,5-Benzenetriol,2,4-dimethyl-, with the CAS registry number 4463-02-9, is also known as 2,4,6-Trihydroxy-1,3-dimethyl benzene. Its EINECS number is 224-725-9. It belongs to the product category of Aromatic Hydrocarbons (substituted) & Derivatives. This chemical's molecular formula is C8H10O3 and molecular weight is 154.16. What's more, its systematic name is 2,4-Dimethylbenzene-1,3,5-triol. 

Physical properties of 1,3,5-Benzenetriol,2,4-dimethyl- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.25; (6)ACD/BCF (pH 7.4): 3.23; (7)ACD/KOC (pH 5.5): 80.89; (8)ACD/KOC (pH 7.4): 80.53; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 41.54 cm3; (15)Molar Volume: 117.2 cm3; (16)Polarizability: 16.47×10-24cm3; (17)Surface Tension: 60.8 dyne/cm; (18)Density: 1.314 g/cm3; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 304.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000489 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(O)c(c(O)c1C)C
(2)InChI: InChI=1S/C8H10O3/c1-4-6(9)3-7(10)5(2)8(4)11/h3,9-11H,1-2H3
(3)InChIKey: XIRABDOOVRWLFU-UHFFFAOYSA-N