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| CAS No.: | 79-78-7 |
|---|---|
| Name: | ALLYL IONONE |
| Molecular Structure: | |
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| Formula: | C16H24 O |
| Molecular Weight: | 232.40 |
| Synonyms: | 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one;Allyl-a-ionone; Cetone V |
| EINECS: | 201-225-9 |
| Density: | 0.928 g/mL at 25 °C(lit.) |
| Boiling Point: | 313.4 °C at 760 mmHg |
| Flash Point: | 137.6 °C |
| Solubility: | soluble in alcohol; insoluble in water |
| Appearance: | colourless to yellow liquid with a fruity, woody odour |
| Safety: | A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS. |
| PSA: | 17.07000 |
| LogP: | 4.46040 |
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Chemistry
Product Name: Allyl α-ionone (CAS NO.79-78-7)
Molecular Formula: C16H24O
Molecular Weight: 232.36g/mol
Mol File: 79-78-7.mol
Einecs: 201-225-9
Appearance: Colourless to yellow liquid with a fruity, woody odour
Boiling point: 313.4 °C at 760 mmHg
Flash Point: 137.6 °C
Density: 0.928 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.505(lit.)
Solubility: Soluble in alcohol; insoluble in water
Surface Tension: 33.3 dyne/cm
Enthalpy of Vaporization: 55.45 kJ/mol
Vapour Pressure: 0.000498 mmHg at 25°C
XLogP3-AA: 4
H-Bond Donor: 0
H-Bond Acceptor: 1
Product Categories: A-B; Alphabetical Listings; Flavors and Fragrances
Uses
GB 2760 - 1996: provisions allowing the use of food with the spices. Allyl α-ionone (CAS NO.79-78-7) is mainly used for preparation of pineapple and other fruit-type flavor.
Production
The presence of sodium in methanol, Allyl α-ionone (CAS NO.79-78-7) is a lemon condensation of aldehydes with allyl acetone first, and then boron trifluoride catalyzed cyclization formed.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg MLD | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1079. | ||
| 2. | skn-rbt LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),493. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS.
Specification
Allyl α-ionone ,its CAS NO. is 79-78-7,the synonyms is 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one ; 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-6-heptadien-3-one ; 6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1 ; Allylalpha-ionon ; 1-(2,6,6-Trimethylcyclohex-2-enyl)hepta-1,6-dien-3-one ; Allyl ionone ; Allyl alpha-ionone ; (e)-1-(2,6,6-Trimethyl-cyclohex-2-enyl)-hepta-1,6-dien-3-one .