Methyl α-phenylbenzeneacetate
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Methyl α-phenylbenzeneacetate
structure -
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CAS No:
3469-00-9
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Formula:
C15H14O2
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Chemical Name:
Methyl α-phenylbenzeneacetate
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Synonyms:
Benzeneacetic acid,α-phenyl-,methyl ester;Acetic acid,diphenyl-,methyl ester;Methyl α-phenylbenzeneacetate;Diphenylacetic acid,methyl ester;Methyl diphenylacetate;Methyl 2,2-diphenylacetate;NSC 120416;NSC 27912
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CAS No:
Methyl α-phenylbenzeneacetate Basic Attributes
226.27
226.27
222-431-5
4H8021R61U
120416|27912
DTXSID80188239
2916399090
Characteristics
26.3
3.4
1.097g/cm3
39-43 °C @ Solvent: Ligroine
136-141 °C @ Press: 0.8 Torr
131.1ºC
1.559
soluble in methanol.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Capillary | HP-5 | 1775. | 200. | isothermal | 8. m/0.32 mm/0.17 μm, He | Soják, L.Perjéssy, A.Kubinec, R.Giumanini, A.G.CGC-FTIR characterization of mononitro and dinitro isomers from nitration mixtures of methyl arylacetatesChem. Pap.1998, 52, 1, 34-40. |
| Kovats' RI, non-polar column, isothermal | Capillary | 5 % Phenyl methyl siloxane | 1740. | temperature ramp | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C | Zaikin, V.G.Personal communication: Retention indices measured during 20102010. |
Computed Properties
Molecular Weight:226.27
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:226.099379685
Monoisotopic Mass:226.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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