• Name

  3,6,10-trimethylundeca-3,5,9-trien-2-one

• EINECS 214-245-8
• CAS No. 1117-41-5
• Article Data16
• CAS DataBase
• Density 0.87g/cm³
• Solubility
• Melting Point
• Formula C14H22 O
• Boiling Point 313.6°C at 760 mmHg
• Molecular Weight 206.328
• Flash Point 137.6°C
• Transport Information
• Appearance
• Safety Slightly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Pseudoionone,isomethyl- (5CI);3,6,10-Trimethyl-3,5,9-undecatrien-2-one;Isomethylpseudoionone;Methylisopseudoionone;
• PSA 17.07000
• LogP 4.21440

Synthetic route

78-93-3

butanone

5392-40-5

(E/Z)-3,7-dimethyl-2,6-octadienal

A

1117-41-5

pseudoionone

B

7,10-dimethyl-dodeca-4,6,10-trien-3-one

Conditions

Conditions	Yield
With alkali

...Expand

106-24-1

Geraniol

78-93-3

butanone

A

1117-41-5

pseudoionone

B

7,10-dimethyl-dodeca-4,6,10-trien-3-one

Conditions

Conditions	Yield
With aluminium(III) phenoxide; benzene
With aluminum tri-tert-butoxide; benzene

...Expand

816-40-0

1-Bromo-2-butanone

5392-40-5

(E/Z)-3,7-dimethyl-2,6-octadienal

A

1117-41-5

pseudoionone

B

7,10-dimethyl-dodeca-4,6,10-trien-3-one

Conditions

Conditions	Yield
With magnesium; toluene; mercury dichloride beim Behandeln des nicht naeher beschriebenen Reaktionsprodukts mit Natriumaethylat-Loesung und folgenden Destillieren;

...Expand

26487-92-3

3-(triphenylphosphoranylidene)butan-2-one

5392-40-5

(E/Z)-3,7-dimethyl-2,6-octadienal

1117-41-5

pseudoionone

Conditions

Conditions	Yield
In dibutyl ether

60437-18-5

3,6,10-trimethyl-undeca-3,5,9-trien-2-ol

1117-41-5

pseudoionone

Conditions

Conditions	Yield
With manganese(IV) oxide In Petroleum ether

60437-19-6

2,5,9-trimethyl-deca-2,4,8-trienal

1117-41-5

pseudoionone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether 2: MnO2 / petroleum ether View Scheme

78-93-3

butanone

5392-40-5

(E/Z)-3,7-dimethyl-2,6-octadienal

A

1117-41-5

pseudoionone

B

26651-96-7

7,11-dimethyl-dodeca-4,6,10-trien-3-one

Conditions

Conditions	Yield
With sodium hydroxide In water at 120 - 138℃; for 0.0666667h; Product distribution / selectivity;
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine at 60℃; for 6h; Inert atmosphere;
With AMBERLYSTA26OH In ethanol at 40℃; for 8h; Temperature; Aldol Condensation; Inert atmosphere;

...Expand

1117-41-5

pseudoionone

15789-90-9

alpha-isomethylionone

Conditions

Conditions	Yield
With sulfuric acid

1117-41-5

pseudoionone

60437-20-9

3,6,10-trimethyl-undecan-2-one

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol

1117-41-5

pseudoionone

96-32-2

bromoacetic acid methyl ester

60437-09-4

(2E,4E,6E)-3,4,7,11-Tetramethyl-dodeca-2,4,6,10-tetraenoic acid methyl ester

Conditions

Conditions	Yield
(i) Zn, benzene, (ii) POCl3, Py; Multistep reaction;

1117-41-5

pseudoionone

21204-67-1

methyl (triphenylphosphoranylidene)acetate

60437-09-4

(2E,4E,6E)-3,4,7,11-Tetramethyl-dodeca-2,4,6,10-tetraenoic acid methyl ester

Conditions

Conditions	Yield
With benzoic acid In benzene

1117-41-5

pseudoionone

7,10-dimethyl-dodeca-4,6,10-trien-3-one

A

51703-99-2

(E)-8-methyl-β-ionone

B

1t(?)-<2.2.6-trimethyl-cyclohexen-(6)-yl>-penten-(1)-one-(3)

1t(?)-<2.2.6-trimethyl-cyclohexen-(6)-yl>-penten-(1)-one-(3)

Conditions

Conditions	Yield
With sulfuric acid

...Expand

1117-41-5

pseudoionone

7,10-dimethyl-dodeca-4,6,10-trien-3-one

A

15789-90-9

alpha-isomethylionone

B

(+-)-1t(?)-<2.2.6-trimethyl-cyclohexen-(5)-yl>-penten-(1)-one-(3)

(+-)-1t(?)-<2.2.6-trimethyl-cyclohexen-(5)-yl>-penten-(1)-one-(3)

Conditions

Conditions	Yield
With formic acid bei Siedetemperatur;
With phosphoric acid at 30 - 35℃;
With sulfuric acid
With formic acid bei Siedetemperatur;

...Expand

1117-41-5

pseudoionone

7,10-dimethyl-dodeca-4,6,10-trien-3-one

A

63429-28-7

(4E)-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-4-penten-3-one

B

2-methyl-1t(?)-<2.2.6-trimethyl-cyclohexen-(6)-yl>-buten-(1)-one-(3)

2-methyl-1t(?)-<2.2.6-trimethyl-cyclohexen-(6)-yl>-buten-(1)-one-(3)

Conditions

Conditions	Yield
With sulfuric acid

...Expand

1117-41-5

pseudoionone

7,10-dimethyl-dodeca-4,6,10-trien-3-one

A

93302-56-8

alpha-Methyl-ionone

B

2-methyl-1t(?)-<2.2.6-trimethyl-cyclohexen-(5)-yl>-buten-(1)-one-(3)

2-methyl-1t(?)-<2.2.6-trimethyl-cyclohexen-(5)-yl>-buten-(1)-one-(3)

Conditions

Conditions	Yield
With formic acid bei Siedetemperatur;
With sulfuric acid
With phosphoric acid at 30 - 35℃;
With formic acid bei Siedetemperatur;

...Expand

1117-41-5

pseudoionone

17737-40-5

3-methyl-4t-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one semicarbazone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated sulfuric acid View Scheme

1117-41-5

pseudoionone

1028-07-5

(+/-)-3-methyl-4t-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one semicarbazone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous phosphoric acid / 30 - 35 °C View Scheme

1117-41-5

pseudoionone

60437-14-1

C17H32O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Pd-C / ethanol 2: (i) Zn, benzene, (ii) POCl3, Py View Scheme
Multi-step reaction with 2 steps 1: H2 / Pd-C / ethanol 2: PhCO2H / benzene View Scheme

1117-41-5

pseudoionone

C13H20O2

Conditions

Conditions	Yield
With ferredoxin reductase; [2Fe-2S] ferredoxin; Novosphingobium aromaticivorans DSM12444 monooxygenase CYP101B1; NADH; bovine liver catalase In aq. buffer Enzymatic reaction; regioselective reaction;

3,6,10-trimethyl-3,5,9-Undecatrien-2-one Chemical Properties

3,6,10-trimethyl-3,5,9-Undecatrien-2-one Toxicity Data With Reference

3,6,10-trimethyl-3,5,9-Undecatrien-2-one Consensus Reports

3,6,10-trimethyl-3,5,9-Undecatrien-2-one Safety Profile