Phenylacetylene
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Phenylacetylene
structure -
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CAS No:
536-74-3
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Formula:
C8H6
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Chemical Name:
Phenylacetylene
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Synonyms:
Benzene,ethynyl-;Ethynylbenzene;Phenylacetylene;Phenylethyne;Ethyne,phenyl-;1-Phenylethyne;NSC 4957;1-Ethynylbenzene;1401716-44-6
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CAS No:
Description
colourless liquid
Phenylacetylene is an alkyne hydrocarbon containing a phenyl group. It exists as a colorless, viscous liquid. In research, it is sometimes used as an analog for acetylene; being a liquid, it is easier to handle than acetylene gas.
Ethynylbenzene is a member of benzenes.
Phenylacetylene Basic Attributes
102.13
102.13
605461
208-645-1
239WSR2IBO
4957
DTXSID1060211
2901100000
Characteristics
0
2.40
Clear colorless to yellow Liquid
0.9303 g/cm3 @ Temp: 20 °C
-44.8 °C
143 °C
88 °F
1.542
H2O: INsoluble
2-8°C
17.6 mm Hg ( 37.7 °C)
Oral-Rat LDL0: 4648 mg/kg
In case of fire, high temperature, oxidant is more flammable; burning produces irritating smoke
Safety Information
III
3
UN 3295 3/PG 3
1
10-36/37/38-40-65-36/37
16-26-36/37/39-45-62-36/37
DA0780000
Xn
Storehouse ventilated at low temperature and dry; stored separately from oxidants and acids; should not be stored for a long time to prevent polymerization
Stable. Flammable. Incompatible with strong oxidizing agents, acids, halogens.
P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P281, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
UN 3295
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P281, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 115 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Phenylacetylene Use and Manufacturing
Β-Bromostyrene was added dropwise to molten potassium hydroxide, and the resulting phenylacetylene was distilled from the reaction. The distillate is layered, and the upper layer is the water layer. The oil layer is dried and distilled to obtain phenylacetylene.
Ethynylbenzene, an aromatic hydrocarbon, is important in the petrochemical industry as an intermediate in the production of styrene, which in turn is used for making polystyrene, a common plastic material.
Benzene, ethynyl-: ACTIVE
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Capillary | OV-101 | 870. | 100. | isothermal | Column length: 50. m; Column diameter: 0.30 mm | Engewald, W.Topalova, I.Petsev, N.Dimitrov, Chr.Structure-Retention Correlations of Hydrocarbons in GLC and GSC. AlkenylbenzenesChromatographia1987, 23, 8, 561-565. |
| Kovats' RI, non-polar column, isothermal | Capillary | Squalane | 833. | 106. | isothermal | He; Column length: 100. m | Kugucheva, E.E.Mashinsky, V.I.Retention Indices of Aromatic Hydrocarbons on Capillary Columns with Squalan and Polyphenyl EtherZh. Anal. Khim. (Rus)1983, 38, 11, 2023-2026. |
| Kovats' RI, non-polar column, isothermal | Capillary | Squalane | 830. | 96. | isothermal | He; Column length: 100. m | Kugucheva, E.E.Mashinsky, V.I.Retention Indices of Aromatic Hydrocarbons on Capillary Columns with Squalan and Polyphenyl EtherZh. Anal. Khim. (Rus)1983, 38, 11, 2023-2026. |
| Kovats' RI, non-polar column, isothermal | Capillary | SE-30 | 862.1 | 70. | isothermal | N2; Column length: 15. m; Column diameter: 0.25 mm | Tóth, T.Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixturesJ. Chromatogr.1983, 279, 157-165. |
| Kovats' RI, non-polar column, isothermal | Capillary | SE-30 | 875. | 130. | isothermal | Column length: 100. m; Column diameter: 0.5 mm | Bredael, P.Retention indices of hydrocarbons on SE-30J. Hi. Res. Chromatogr. Chromatogr. Comm.1982, 5, 6, 325-328. |
Computed Properties
Molecular Weight:102.13
XLogP3:2.5
Rotatable Bond Count:1
Exact Mass:102.0469501914
Monoisotopic Mass:102.0469501914
Heavy Atom Count:8
Complexity:98.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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