Home >> Chemicals Listing >> hot product list by 2  

2-Propanone,1-(2,6-dimethylphenoxy)- (53012-41-2)

Identification
Name:2-Propanone,1-(2,6-dimethylphenoxy)-
Synonyms:1-(2,6-Dimethylphenoxy)-2-propanone;1-(2,6-Dimethylphenoxy)acetone;
CAS:53012-41-2
EINECS: 258-292-2
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
InChI: InChI=1/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
Molecular Structure: (C11H14O2) 1-(2,6-Dimethylphenoxy)-2-propanone;1-(2,6-Dimethylphenoxy)acetone;
Properties
Density:1.011 g/cm3
Refractive index:1.5
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

Safety Data
 

Other Product