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1-(3-Phenoxyphenyl)ethan-1-one

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Name

1-(3-Phenoxyphenyl)ethan-1-one

EINECS 251-259-3
CAS No. 32852-92-9 Density 1.108 g/cm3
PSA 26.30000 LogP 3.68150
Solubility N/A Melting Point N/A
Formula C14H12O2 Boiling Point 333.2 °C at 760 mmHg
Molecular Weight 212.248 Flash Point 147.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32852-92-9 (3-ACETYLBIPHENYL) Hazard Symbols IrritantXi
Synonyms

Acetophenone,3'-phenoxy- (8CI);3-Phenoxyphenyl methyl ketone;3'-Phenoxyacetophenone;m-Phenoxyacetophenone;

Article Data 22

1-(3-Phenoxyphenyl)ethan-1-one Consensus Reports

Reported in EPA TSCA Inventory.

1-(3-Phenoxyphenyl)ethan-1-one Specification

The 3-Phenoxyacetophenone is an organic compound with the formula C14H12O2. The IUPAC name of this chemical is 1-(3-phenoxyphenyl)ethanone. With the CAS registry number 32852-92-9, it is also named as Acetophenone, 3'-phenoxy-.

Physical properties about 3-Phenoxyacetophenone are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 548.35; (5)ACD/BCF (pH 7.4): 548.35; (6)ACD/KOC (pH 5.5): 3178.48; (7)ACD/KOC (pH 7.4): 3178.48; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 62.72 cm3; (13)Molar Volume: 191.5 cm3; (14)Polarizability: 24.86×10-24cm3; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 147.8 °C; (18)Enthalpy of Vaporization: 57.61 kJ/mol; (19)Boiling Point: 333.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000138 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc(Oc1ccccc1)ccc2)C
(2)InChI: InChI=1/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3
(3)InChIKey: FZCDBGYCFVKRDV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3
(5)Std. InChIKey: FZCDBGYCFVKRDV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6177mg/kg (6177mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA
Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4395, 1980.
rat LD50 oral 4160mg/kg (4160mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4395

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