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CAS No.: | 60070-05-5 |
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Name: | 4,5-DIMETHYLBENZENE-1,2-DIMETHANOL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 4,5-Dimethyl-1,2-benzenedimethanol; |
Density: | 1.11 g/cm3 |
Boiling Point: | 320.2 °C at 760 mmHg |
Flash Point: | 156.4 °C |
Safety: | 24/25 |
PSA: | 40.46000 |
LogP: | 1.28800 |
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The 4,5-Dimethylbenzene-1,2-dimethanol, with CAS registry number 60070-05-5, has the systematic name of (4,5-dimethylbenzene-1,2-diyl)dimethanol. And its IUPAC name is [2-(hydroxymethyl)-4,5-dimethylphenyl]methanol. This chemical should be stored in cool, dry place. When use this chemical, avoid contact with skin and eyes.
Physical properties of 4,5-Dimethylbenzene-1,2-dimethanol: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.05; (6)ACD/BCF (pH 7.4): 3.05; (7)ACD/KOC (pH 5.5): 77.37; (8)ACD/KOC (pH 7.4): 77.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 48.8 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 19.34×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 59.32 kJ/mol; (19)Vapour Pressure: 0.000134 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(c(cc1CO)C)C
(2)InChI: InChI=1/C10H14O2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3
(3)InChIKey: VSODREOTHFONSP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H14O2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3
(5)Std. InChIKey: VSODREOTHFONSP-UHFFFAOYSA-N