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Cas Database |
| Name |
3,6,10-trimethyl-3,5,9-Undecatrien-2-one |
EINECS | 214-245-8 |
| CAS No. | 1117-41-5 | Density | 0.87g/cm3 |
| PSA | 17.07000 | LogP | 4.21440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H22 O | Boiling Point | 313.6°C at 760 mmHg |
| Molecular Weight | 206.328 | Flash Point | 137.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Slightly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Pseudoionone,isomethyl- (5CI);3,6,10-Trimethyl-3,5,9-undecatrien-2-one;Isomethylpseudoionone;Methylisopseudoionone; |
Article Data | 16 |
3,6,10-trimethyl-3,5,9-Undecatrien-2-one Synthetic route
| Conditions | Yield |
|---|---|
| With alkali |
| Conditions | Yield |
|---|---|
| With aluminium(III) phenoxide; benzene | |
| With aluminum tri-tert-butoxide; benzene |
| Conditions | Yield |
|---|---|
| With magnesium; toluene; mercury dichloride beim Behandeln des nicht naeher beschriebenen Reaktionsprodukts mit Natriumaethylat-Loesung und folgenden Destillieren; |
- 26487-92-3
3-(triphenylphosphoranylidene)butan-2-one
- 5392-40-5
(E/Z)-3,7-dimethyl-2,6-octadienal
- 1117-41-5
pseudoionone
| Conditions | Yield |
|---|---|
| In dibutyl ether |
- 60437-18-5
3,6,10-trimethyl-undeca-3,5,9-trien-2-ol
- 1117-41-5
pseudoionone
| 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 | 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 | 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; |
- 1117-41-5
pseudoionone
- 15789-90-9
alpha-isomethylionone
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 1117-41-5
pseudoionone
- 60437-20-9
3,6,10-trimethyl-undecan-2-one
| 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 | Yield |
|---|---|
| (i) Zn, benzene, (ii) POCl3, Py; Multistep reaction; |
3,6,10-trimethyl-3,5,9-Undecatrien-2-one Chemical Properties
The IUPAC name of 3,6,10-trimethyl-3,5,9-Undecatrien-2-one (CAS NO.1117-41-5):
: (3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one
Synonyms: 2,6,9-Trimethylundeca-2,6,8-trien-10-one ; 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl- ; 3,6,10-Trimethylundeca-3,5,9-trien-2-one ; Iso-methylpseudoionone ; Methylisopseudoionone ; Pseudo-Isomethyl ionone
CAS: 1117-41-5
EINECS: 214-245-8
Molecular Formula: C14H22O
Formula Weight: 206.32388 g/mol
Molecular Structure:
.png)
Index of Refraction: 1.474
Density: 0.87 g/cm3
Flash Point: 137.6 °C
Boiling Point: 313.6 °C at 760 mmHg
3,6,10-trimethyl-3,5,9-Undecatrien-2-one Toxicity Data With Reference
The toxicity of 3,6,10-trimethyl-3,5,9-Undecatrien-2-one (CAS NO.1117-41-5):
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 2500mg/kg (2500mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988. | |
| rat | LDLo | oral | 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988. |
3,6,10-trimethyl-3,5,9-Undecatrien-2-one Consensus Reports
Reported in EPA TSCA Inventory.
3,6,10-trimethyl-3,5,9-Undecatrien-2-one Safety Profile
The safety information of 3,6,10-trimethyl-3,5,9-Undecatrien-2-one (CAS NO.1117-41-5):
Slightly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
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