pseudoionone

CAS No. 141-10-6

Formula: C13H20O
Basic Info

Formula
C13H20O
Molecular Weight
192.297
Exact Mass
192.151
LogP
3.8243
PSA
17.07
Synonyms

3,5,9-Undecatrien-2-one, 6,10-dimethyl-

6,10-Dimethyl-3,5,9-undecatrien-2-one (Pseudoionone)

Pseudoionone

(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

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Properties
Appearance & Physical State
Pale yellowish to yellow oily liquid.
Density
0.871 g/cm3
Boiling Point
297.8ºC at 760 mmHg
Flash Point
129ºC
Refractive Index
n20/D 1.53
Vapor Pressure
0.00132mmHg at 25°C
Safety Info
Safety Statements
S23
HS Code
2914190090
Spectrum
NMR Spectrum 1H NMR : Predict
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1507.9
Temperature Control
100.
Method
isothermal
Comments
40. m/0.35 mm/0.35 μm
Reference
Tudor, E.Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equationsJ. Chromatogr. A1997, 779, 1-2, 287-297.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1557.6
Temperature Control
100.
Method
isothermal
Comments
40. m/0.35 mm/0.35 μm
Reference
Tudor, E.Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equationsJ. Chromatogr. A1997, 779, 1-2, 287-297.
Kovats' RI, polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
PEG-20M
Retention index
1976.
Temperature Control
170.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.27 mm
Reference
Gribanova, S.V.Kharitonov, Yu.Ya.Dzhabarov, D.N.Rudenko, B.A.Yanotovskii, M.T.Investigation of the gas-chromatographic behaviour of intermediate products of vitamin E synthesis and their structural analogs on various stationary phases for the identification of impurities by their retention indicesZh. Anal. Khim.1990, 45, 8, 1561-1567.
Kovats' RI, polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
PEG-20M
Retention index
2045.
Temperature Control
170.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.27 mm
Reference
Gribanova, S.V.Kharitonov, Yu.Ya.Dzhabarov, D.N.Rudenko, B.A.Yanotovskii, M.T.Investigation of the gas-chromatographic behaviour of intermediate products of vitamin E synthesis and their structural analogs on various stationary phases for the identification of impurities by their retention indicesZh. Anal. Khim.1990, 45, 8, 1561-1567.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1527.
Temperature Control
Method
temperature ramp
Comments
He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T<sub>start</sub>: 50. C; T<sub>end</sub>: 250. C
Reference
Gómez, E.Ledbetter, C.A.Hartsell, P.L.Volatile compounds in apricot, plum, and their interspecific hybridsJ. Agric. Food Chem.1993, 41, 10, 1669-1676.
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
>5 gm/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,311,1988
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
5 gm/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,311,1988

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