Geranylacetone

CAS No. 689-67-8

Formula: C13H22O
Basic Info

Formula
C13H22O
Molecular Weight
194.313
Exact Mass
194.167
LogP
4.0483
PSA
17.07
Synonyms

6,10-Dimethyl-5,9-undecadien-2-one

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Properties
Appearance & Physical State
Colorless liquid or Light yellow liquid
Density
0.873 g/mL at 25ºC(lit.)
Boiling Point
254-258ºC(lit.)
Flash Point
>230 °F
Refractive Index
n20/D 1.467(lit.)
Safety Info
RTECS
YQ1190000
Safety Statements
26-37/39
WGK Germany
3
Risk Statements
R36/37/38
HS Code
2914190090
Hazard Codes
Spectrum
NMR Spectrum Predict 1H proton NMR
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IR Spectrum IR : liquid film
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-Petro
Retention index
1427.1
Temperature Control
Method
temperature ramp
Comments
50. m/0.2 mm/0.5 μm, 2. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 270. C
Reference
Pang T.Zhu S.Lu X.Xu G.Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatographyJ. Sep. Sci.2007, 30, 6, 868-874.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-Petro
Retention index
1427.1
Temperature Control
Method
temperature ramp
Comments
50. m/0.2 mm/0.5 μm, 2. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 270. C
Reference
Pang T.Zhu S.Lu X.Xu G.Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatographyJ. Sep. Sci.2007, 30, 6, 868-874.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
1456.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 20. min; T<sub>start</sub>: 50. C
Reference
Xian Q.Chen H.Zou H.Yin D.Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L.Flavour Fragr. J.2006, 21, 3, 524-526.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
1471.93
Temperature Control
Method
temperature ramp
Comments
35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm
Reference
Yin, W.Xiu, Z.Aijin, H.Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometryFenxi Huaxue2001, 29, 2, 195-198.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1434.
Temperature Control
Method
temperature ramp
Comments
6. K/min; Column length: 50. m; Column diameter: 0.2 mm; T<sub>start</sub>: 50. C; T<sub>end</sub>: 250. C
Reference
Paramonov, E.A.Khalilova, A.Z.Odinokov, V.N.Khalilov, L.M.Identification and biological activity of volatile organic compounds isolated from plants and insects. III. Chromatography-mass spectrometry of volatile compoundsof Aegopodium podagrariaChem. Nat. Compd. (Engl. Transl.)2000, 36, 6, 584-586.

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