Name | allylionone |
Synonyms | allylionone allylalpha-ionon 1-(2,6,6-TRIMETHYLCYCLOHEX-2-ENYL)HEPTA-1,6-DIEN-3-ONE 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-6-heptadien-3-one 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-one 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one 6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
CAS | 79-78-7 |
EINECS | 201-225-9 |
InChI | InChI=1/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+ |
Molecular Formula | C16H24O |
Molar Mass | 232.36 |
Density | 0.928g/mLat 25°C(lit.) |
Boling Point | 102-104°C0.2mm Hg(lit.) |
Flash Point | >230°F |
JECFA Number | 401 |
Vapor Presure | 0.000498mmHg at 25°C |
Refractive Index | n20/D 1.505(lit.) |
Physical and Chemical Properties | Colorless to pale yellow oily liquid. Poor pineapple-like fruit and wood aroma. The boiling point is 265 ° C, and the flash point is 100 ° C. Soluble in ethanol, insoluble in water. |
WGK Germany | 2 |
RTECS | MI5550000 |
FEMA | 2033 | ALLYL ALPHA-IONONE |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
use | GB 2760-1996: food spices that are allowed to be used. Mainly used to prepare fruit flavors such as pineapples. |
Production method | In the presence of sodium methoxide, citral and allylacetone are first condensed, and then cyclized under the catalysis of boron trifluoride. |
category | flammable liquid |
toxicity classification | low toxicity |
acute toxicity | skin-rabbit LD50: >5000 mg/kg |
stimulation data | skin-rabbit 500 mg/24 hours mild |
flammability hazard characteristics | open flame, heating, oxidant combustible; combustion emits stimulating gas |
storage and transportation characteristics | warehouse ventilation and low temperature drying; light loading and light unloading, separate from oxidant and acid storage |
fire extinguishing agent | mist water, foam, sand, carbon dioxide, 1211 fire extinguishing agent |