3-Ethyl-2-pentanone
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3-Ethyl-2-pentanone
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CAS No:
6137-03-7
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Formula:
C7H14O
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Chemical Name:
3-Ethyl-2-pentanone
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Synonyms:
2-Pentanone,3-ethyl-;3-Ethyl-2-pentanone;3-Acetylpentane
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CAS No:
Characteristics
17.07000
2.01160
0.823 g/cm3 @ Temp: 15 °C
135-139 °C
136-137 °C @ Press: 760 Torr
31ºC
1.401
Safety Information
|Danger|H311 (94.12%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P260, P273, P280, P302+P352, P312, P314, P322, P361, P363, P405, and P501|Aggregated GHS information provided by 17 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | DB-5 | 838.1 | temperature ramp | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C | Xu, X.van Stee, L.L.P.Williams, J.Beens, J.Adahchour, M.Vreuls, R.J.J.Brinkman, U.A.Th.Lelieveld, J.Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphereAtmos. Chem. Phys.2003, 3, 3, 665-682. | |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | AT-Wax | 1033. | temperature ramp | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C | Kiss, M.Csoka, M.Gyorfi, J.Korany, K.Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in HungaryJ. Appl. Botany Food Quality2011, 84, 102-110. |
Computed Properties
Molecular Weight:114.19
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes