Ethanol,2-(3,5-dimethylphenoxy)- supplier

Name
2-(3,5-DIMETHYLPHENOXY)-ETHANOL
EINECS
CAS No. 5960-05-4
Article Data5
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point 41 °C
Formula C₁₀H₁₄O₂
Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 166.22
Flash Point 125.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2-(3,5-xylyloxy)- (6CI,7CI,8CI);NSC 190717;
PSA 29.46000
LogP 1.67450

Ethanol,2-(3,5-dimethylphenoxy)- Specification

The Ethanol, 2-(3, 5-dimethylphenoxy)-, with the CAS registry number of 5960-05-4, is also known as Ethanol, 2-(3, 5-xylyloxy)- (6CI, 7CI, 8CI). This chemical's molecular formula is C₁₀H₁₄O₂ and molecular weight is 166.217. What's more, its IUPAC name is 2-(3, 5-Dimethylphenoxy)ethanol.

Physical properties about Ethanol, 2-(3, 5-dimethylphenoxy)- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 48.74 cm³; (9)Molar Volume: 159.9 cm³; (10)Surface Tension: 37.4 dyne/cm; (11)Density: 1.038 g/cm³; (12)Flash Point: 125.7 °C; (13)Enthalpy of Vaporization: 55.76 kJ/mol; (14)Boiling Point: 288.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00107 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Ethane-1, 2-diol with 3, 5-Dimethyl-cyclohex-2-enone by heating. This reaction needs reagents Iodine and Cerium(IV) ammonium nitrate. Meanwhile, it needs solvent Acetonitrile. The reaction time is 10 hours. The yield is about 78 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(c1)C)C)CCO
(2) InChI: InChI=1/C10H14O2/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7,11H,3-4H2,1-2H3
(3) InChIKey: ZWOUWTVDUAXLPT-UHFFFAOYAF

Product Name

2-(3,5-DIMETHYLPHENOXY)-ETHANOL

Ethanol,2-(3,5-dimethylphenoxy)- Specification

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