NEOPENTYLBENZENE
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NEOPENTYLBENZENE
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CAS No:
1007-26-7
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Formula:
C11H16
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Chemical Name:
NEOPENTYLBENZENE
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Synonyms:
Neopentybenzene;NEOPENTYLBENZENE;1-NEOPENTYLBENZENE;Benzene,neopentyl-;Neopentylbenzene,97+%;(2,2-Dimethylpropyl)Benzen;(2,2-DIMETHYLPROPYL)BENZENE;(2,2-pimethylpropyl)benzene;2,2-DIMETHYL-1-PHENYLPROPANE;1-(2,2-Dimethylpropyl)benzene
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CAS No:
Characteristics
0
3.27520
clear colorless liquid
0.858 g/mL at 25 °C(lit.)
-44.72°C (estimate)
185-186 °C(lit.)
123 °F
n 20/D 1.488(lit.)
Slightly soluble in water.
Flammables area
0.953mmHg at 25°C
Safety Information
III
3
UN 3295 3/PG 3
3
10
16
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
UN 3295 3/PG 3
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, temperature ramp | Capillary | OV-101 | 1048. | temperature ramp | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C | Hayes, P.C., Jr.Pitzer, E.W.Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indicesJ. Chromatogr.1982, 253, 179-198. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | Ultra-1 | 1040.69 | temperature ramp | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C | Haynes, P.C., Jr.Pitzer, E.W.Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature ratesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1985, 8, 5, 230-242. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | Ultra-1 | 1049.08 | temperature ramp | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C | Haynes, P.C., Jr.Pitzer, E.W.Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature ratesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1985, 8, 5, 230-242. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | Ultra-1 | 1052.19 | temperature ramp | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C | Haynes, P.C., Jr.Pitzer, E.W.Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature ratesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1985, 8, 5, 230-242. | |
| Kovats' RI, non-polar column, temperature ramp | Capillary | Ultra-2 | 1060.23 | temperature ramp | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C | Haynes, P.C., Jr.Pitzer, E.W.Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature ratesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1985, 8, 5, 230-242. |
Computed Properties
Molecular Weight:148.24
XLogP3:4.3
Rotatable Bond Count:2
Exact Mass:148.125200510
Monoisotopic Mass:148.125200510
Heavy Atom Count:11
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes