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CAS No.: | 32852-92-9 |
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Name: | 3-ACETYLBIPHENYL |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C14H12O2 |
Molecular Weight: | 212.248 |
Synonyms: | Acetophenone,3'-phenoxy- (8CI);3-Phenoxyphenyl methyl ketone;3'-Phenoxyacetophenone;m-Phenoxyacetophenone; |
EINECS: | 251-259-3 |
Density: | 1.108 g/cm3 |
Boiling Point: | 333.2 °C at 760 mmHg |
Flash Point: | 147.8 °C |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 3.68150 |
Reported in EPA TSCA Inventory.
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 |