1-(2,6-Dimethylphenoxy)propan-2-one supplier

Name
1-(2,6-Dimethylphenoxy)propan-2-one
EINECS 258-292-2
CAS No. 53012-41-2
Article Data15
CAS DataBase
Density 1.011 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₂
Boiling Point 261.4 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 104.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2,6-Dimethylphenoxy)-2-propanone;1-(2,6-Dimethylphenoxy)acetone;
PSA 26.30000
LogP 2.27120

1-(2,6-Dimethylphenoxy)propan-2-one Specification

The 1-(2,6-Dimethylphenoxy)propan-2-one, with cas registry number 53012-41-2, has the systematic name of 1-(2,6-dimethylphenoxy)propan-2-one. And its IUPAC name is the same one. Besides this, it is also called 2-propanone, 1-(2,6-dimethylphenoxy)-. What's more, its EINECS is 258-292-2.

Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.17; (6)ACD/BCF (pH 7.4): 18.17; (7)ACD/KOC (pH 5.5): 277.37; (8)ACD/KOC (pH 7.4): 277.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 51.87 cm³; (15)Molar Volume: 176.1 cm³; (16)Polarizability: 20.56×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 49.92 kJ/mol; (19)Vapour Pressure: 0.0115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(COc1c(cccc1C)C)C
(2)InChI: InChI=1/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
(3)InChIKey: XDJULAUHYAJQBU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
(5)Std. InChIKey: XDJULAUHYAJQBU-UHFFFAOYSA-N

Product Name

1-(2,6-Dimethylphenoxy)propan-2-one

1-(2,6-Dimethylphenoxy)propan-2-one Specification

Related Products

Hot Products