5-Hexen-2-one
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5-Hexen-2-one
structure -
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CAS No:
109-49-9
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Formula:
C6H10O
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Chemical Name:
5-Hexen-2-one
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Synonyms:
5-Hexen-2-one;Allylacetone;1-Hexen-5-one;5-Hexen-1-one;5-Oxo-1-hexene;NSC 6973;3-Butenyl methyl ketone
- Categories:
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CAS No:
5-Hexen-2-one Basic Attributes
98.14
98.14
1699137
203-675-1
XWM6RL9YEI
6973
DTXSID0059372
2914190090
Characteristics
17.1
1.02
Clear colorless liquid. Typical ketone odor
0.856 g/cm3 @ Temp: 20 °C
-71.05°C (estimate)
129.5 °C
75 °F
n 20/D 1.419(lit.)
Soluble in water.
Flammables area
10.50 mmHg
Safety Information
III
3
UN 1224 3/PG 3
3
10
23-24/25
F
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
UN 1224 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 1433 companies from 2 notifications to the ECHA C&L Inventory.
5-Hexen-2-one Use and Manufacturing
Intermediate in pharmaceutical synthesis, perfumes, fungicides, insecticides, fine chemicals.
5-Hexen-2-one: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Flavoring Agents
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon L | 737. | 120. | isothermal | Celite 545 | Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192. |
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon L | 747. | 160. | isothermal | Celite 545 | Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192. |
| Kovats' RI, non-polar column, isothermal | Capillary | Supelcowax-10 | 1135. | temperature ramp | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min | Tanchotikul, U.Hsieh, T.C.-Y.Volatile Flavor Components in Crayfish WasteJ. Food Sci.1989, 54, 6, 1515-1520. | |
| Kovats' RI, non-polar column, isothermal | Capillary | Supelcowax-10 | 1138. | temperature ramp | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min | Tanchotikul, U.Hsieh, T.C.-Y.Volatile Flavor Components in Crayfish WasteJ. Food Sci.1989, 54, 6, 1515-1520. | |
| Kovats' RI, non-polar column, isothermal | Capillary | OV-1 | 744. | temperature ramp | 50. m/0.32 mm/0.52 μm, H2, 1. K/min; Tstart: 30. C | Guan, Y.Zheng, P.Zhou, L.Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatographyJ. Hi. Res. Chromatogr.1992, 15, 1, 18-23. |
Computed Properties
Molecular Weight:98.14
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:74.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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