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69845-49-4

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Basic Information
CAS No.: 69845-49-4
Name: 3,4-dimethylbenzene-1,2-diol
Molecular Structure:
Molecular Structure of 69845-49-4 (3,4-dimethylbenzene-1,2-diol)
Formula: C8H10O2
Molecular Weight: 138.1638
Synonyms: Dimethylcatechol;3,4-dimethylbenzene-1,2-diol;1,2-benzenediol, 3,4-dimethyl-;3,4-Dimethyl-1,2-benzenediol;
Density: 1.162 g/cm3
Boiling Point: 264.7 °C at 760 mmHg
Flash Point: 128.6 °C
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Specification

The 1,2-Benzenediol,dimethyl- (9CI), with the CAS registry number 69845-49-4, has the systematic name and IUPAC name of 3,4-dimethylbenzene-1,2-diol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H10O2.

The characteristics of 1,2-Benzenediol,dimethyl- (9CI) are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.74; (6)ACD/BCF (pH 7.4): 13.7; (7)ACD/KOC (pH 5.5): 227.13; (8)ACD/KOC (pH 7.4): 226.48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 39.66 cm3; (15)Molar Volume: 118.8 cm3; (16)Polarizability: 15.72×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 128.6 °C; (20)Enthalpy of Vaporization: 52.29 kJ/mol; (21)Boiling Point: 264.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00583 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1c(c(ccc1O)C)C
(2)InChI: InChI=1/C8H10O2/c1-5-3-4-7(9)8(10)6(5)2/h3-4,9-10H,1-2H3
(3)InChIKey: RYHGQTREHREIBC-UHFFFAOYAI