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1,1'-(Oxydibenzene-4,1-diyl)diethanone

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Name

1,1'-(Oxydibenzene-4,1-diyl)diethanone

EINECS N/A
CAS No. 2615-11-4 Density 1.139 g/cm3
PSA 43.37000 LogP 3.88410
Solubility N/A Melting Point 103-105°C
Formula C16H14O3 Boiling Point 409.9 °C at 760 mmHg
Molecular Weight 254.285 Flash Point 182.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2615-11-4 (4-ACETYLPHENYL ETHER) Hazard Symbols N/A
Synonyms

Acetophenone,4',4'''-oxydi- (6CI,7CI,8CI);4,4'-Diacetyldiphenyl ether;4,4'-Diacetyldiphenyl oxide;4,4'-Oxybis(acetophenone);4,4'-Oxydiacetophenone;Bis(4-acetylphenyl) ether;Bis(p-acetylphenyl) ether;NSC 214;p,p'-Diacetyldiphenyl ether;

Article Data 17

1,1'-(Oxydibenzene-4,1-diyl)diethanone Specification

This chemical is called 1,1'-(Oxydibenzene-4,1-diyl)diethanone, and it can also be named as Acetophenone, 4',4'''-oxydi-. With the molecular formula of C16H14O3, its molecular weight is 254.28. The CAS registry number of this chemical is 2615-11-4. Additionally, its product category is Aromatic Ethers.

Other characteristics of the 1,1'-(Oxydibenzene-4,1-diyl)diethanone can be summarised as followings: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 323.62; (6)ACD/BCF (pH 7.4): 323.62; (7)ACD/KOC (pH 5.5): 2179.15; (8)ACD/KOC (pH 7.4): 2179.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 72.75 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 28.84×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 182.4 °C; (20)Enthalpy of Vaporization: 66.21 kJ/mol; (21)Boiling Point: 409.9 °C at 760 mmHg; (22)Vapour Pressure: 6.28E-07 mmHg at 25°C.  

Uses of this chemical: The 1,2,16,17-tetramethyl-9,24-dioxa[2.1.2.1]paracyclophane-1,16-diene could be obtained by the reactant of 1,1'-(Oxydibenzene-4,1-diyl)diethanone. This reaction needs the reagents of TiCl4, Zn/Cu, and the solvent of 1,2-dimethoxy-ethane. The yield is 20 %. This reaction should be taken for 44 hours.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 9gm/kg (9000mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 42, 1982.

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