4,5-Dimethylbenzene-1,2-dimethanol supplier

Name
4,5-DIMETHYLBENZENE-1,2-DIMETHANOL
EINECS
CAS No. 60070-05-5
Article Data3
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄O₂
Boiling Point 320.2 °C at 760 mmHg
Molecular Weight 166.22
Flash Point 156.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Dimethyl-1,2-benzenedimethanol;
PSA 40.46000
LogP 1.28800

4,5-Dimethylbenzene-1,2-dimethanol Specification

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

Product Name

4,5-DIMETHYLBENZENE-1,2-DIMETHANOL

4,5-Dimethylbenzene-1,2-dimethanol Specification

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