3-(3,5-Dimethylphenoxy)propane-1,2-diol supplier

Name
3-(3,5-Dimethylphenoxy)propane-1,2-diol
EINECS
CAS No. 59365-66-1
Article Data5
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point 66-67 °C
Formula C₁₁H₁₆O₃
Boiling Point 372.7 °C at 760 mmHg
Molecular Weight 196.246
Flash Point 179.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-propanediol, 3-(3,5-dimethylphenoxy)-;
PSA 49.69000
LogP 1.03540

3-(3,5-Dimethylphenoxy)propane-1,2-diol Specification

The 3-(3,5-Dimethylphenoxy)propane-1,2-diol, with the CAS registry number 59365-66-1, is also called 1,2-propanediol, 3-(3,5-dimethylphenoxy)-. And the molecular formula of the chemical is C₁₁H₁₆O₃.

The characteristics of 3-(3,5-Dimethylphenoxy)propane-1,2-diol are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 54.87 cm³; (9)Molar Volume: 174.3 cm³; (10)Polarizability: 21.75×10^-24cm³; (11)Surface Tension: 44.1 dyne/cm; (12)Density: 1.125 g/cm³; (13)Flash Point: 179.2 °C; (14)Enthalpy of Vaporization: 65.4 kJ/mol; (15)Boiling Point: 372.7 °C at 760 mmHg; (16)Vapour Pressure: 3.23E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1cc(cc(c1)C)C)CC(O)CO
(2)InChI: InChI=1/C11H16O3/c1-8-3-9(2)5-11(4-8)14-7-10(13)6-12/h3-5,10,12-13H,6-7H2,1-2H3
(3)InChIKey: BUPIGXJCEVUNSJ-UHFFFAOYAC

Product Name

3-(3,5-Dimethylphenoxy)propane-1,2-diol

3-(3,5-Dimethylphenoxy)propane-1,2-diol Specification

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