SPECTRUM

Chemical Fact Sheet

Chemical Abstract Number (CAS #) 120581
CASRN 120-58-1
SynonymsIsosafrole
1,3-Benzodioxole, 5-(1-propenyl)-
Benzene, 1,2-methylenedioxy-4-propenyl-
Molecular FormulaC10H10O2

Link to the National Library of Medicine's Hazardous Substances
Database for more details on this compound.

Use MFR HELIOTROPIN; TO MODIFY ORIENTAL PERFUMES; TO STRENGTHEN SOAP PERFUMES; IN SMALL QUANTITIES TOGETHER WITH METHYL SALICYLATE IN ROOT BEER & SARSAPARILLA FLAVORS. MFR PESTICIDE SYNERGISTS. CHEM INT FOR HELIOTROPIN, FRAGRANCE FOR COSMETICS, FLAVORING AGENT IN ROOT BEER (FORMER USE), CHEM INT FOR DIHYDROSAFROLE (NON-USA USE).
Apparent Color COLORLESS LIQUID
Odor ANISE ODOR
Boiling Point 252 DEG C
Melting Point 6.7-6.8 DEG C
Molecular Weight 162.18
Density 1.122 @ 20 DEG C
Environmental Impact Isosafrole occurs naturally as a principal component of the essential oil star anise and also at low quantities in the essential oils of other spices. Isosafrole may be released during its manufacture and use as an intermediate in the production of heliotropin, and in the production of perfumes, flavors, and pesticide synergists. No information was found which indicates that isosafrole is used or is currently produced in the U.S. If isosafrole is released to soil, it should not hydrolyze and should have a low tendency to leach to groundwater. It should be subject to significant volatilization from near-surface soil and other surfaces based upon an estimated Henry's Law constant and an estimated vapor pressure. Isosafrole may biodegrade in soil, although no data are available concerning the biodegradation of isosafrole in culture or in soil and water in the environment. If released to water, it should not hydrolyze, significantly bioconcentrate in aquatic organisms based upon an estimated BCF, or adsorb to sediment or suspended particulate matter based upon an estimated Koc. It should be subject to significant volatilization from surface water with a half-life of 4.9 hr estimated for volatilization of isosafrole from a model river one meter deep flowing 1 m/sec with a wind velocity of 3 m/sec at 20 deg C based on the estimated Henry's Law constant. A half-life of 95.4 hr for volatilization from a model pond can be estimated using a three-compartment EXAMS model which considers the effect of adsorption. It may be susceptible to direct photolysis in surface water and the atmosphere based upon its absorption of light at wavelengths >290 nm. Isosafrole may biodegrade in natural waters although no data are available concerning the biodegradation of isosafrole in culture or in soil and water in the environment. If released to the atmosphere, it can be expected to exist mainly in the vapor phase in the ambient atmosphere based on an estimated vapor pressure. The overall half-lives for the vapor phase reactions of cis- and trans-isosafrole with photochemically produced hydroxyl radicals and ozone have been estimated to be 2.2 and 1.4 hours. Exposure to isosafrole will likely occur via ingestion of food.
Environmental Fate TERRESTRIAL FATE: If isosafrole is released to soil, it should not hydrolyze . It should exhibit low mobility in soil(7,SRC), based upon an estimated Koc(1,4,SRC). It should be subject to significant volatilization from moist near-surface soil based upon the rapid volatilization predicted from water(1-4,SRC). Based upon an estimated vapor pressure of 9.29X10-2 mm Hg(6,SRC), and the estimated Henry's Law constant, volatilization of isosafrole from near surface soil and other surfaces may be important processes. Isosafrole may biodegrade in soil although no data are available concerning the biodegradation of isosafrole in culture or in soil and water in the environment. AQUATIC FATE: If isosafrole is released to water, it should not hydrolyze , significantly bioconcentrate in aquatic organisms based upon an estimated BCF(1,2,SRC) or adsorb to sediment or suspended particulate matter based upon an estimated Koc(1,2,SRC). It should be subject to significant volatilization from surface water with a half-life of 4.9 hr estimated for volatilization of isosafrole from a model river one meter deep flowing 1 m/sec with a wind velocity of 3 m/sec at 20 deg C(1,SRC) based on a Henry's Law constant of 9.3X10-4 atm-cu m/mole which has been estimated using a structure-based estimation method(3,SRC). A half-life of 95.4 hr for volatilization from a model pond can be estimated using a three-compartment EXAMS model which considers the effect of adsorption . It may be susceptible to direct photolysis in surface water based upon its absorption of light at wavelengths >290 nm . Isosafrole may biodegrade in natural waters although no data are available concerning the biodegradation of isosafrole in culture or in soil and water in the environment. ATMOSPHERIC FATE: If isosafrole is released to the atmosphere, it can be expected to exist mainly in the vapor-phase in the ambient atmosphere(1,SRC) based on an estimated vapor pressure of 2.92X0-2 mm Hg at 25 deg C(2,SRC). The overall half-lives for the vapor phase reactions of cis- and trans-isosafrole with photochemically produced hydroxyl radicals and ozone have been estimated to be 2.2 and 1.4 hours at atmospheric concentrations of 5X10 5 hydroxyl radicals per cu cm and 7X10 11 ozone molecules per cu cm (3,4,SRC). It may be susceptible to direct photolysis in the atmosphere based upon its absorption of light at wavelengths >290 nm(5,SRC).

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