94-59-7
Synonym(s):
4-Allyl-1,2-methylenedioxybenzene;5-Allyl-1,3-benzodioxole
CAS NO.：94-59-7
Empirical Formula: C10H10O2
Molecular Weight: 162.19
MDL number: MFCD00005841
EINECS: 202-345-4
PRODUCT Properties
| Melting point: | 11.2 °C(lit.) |
| Boiling point: | 232-234 °C(lit.) |
| Density | 1.099 g/mL at 20 °C |
| vapor pressure | 1 mm Hg ( 63.8 °C) |
| refractive index | n |
| Flash point: | 208 °F |
| storage temp. | 2-8°C |
| solubility | DMF: 20 mg/ml; DMSO: 25 mg/ml; Ethanol: 33 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml |
| color | yellow |
| Odor | at 10.00 % in dipropylene glycol. sweet warm spicy woody floral sassafrass anise |
| Odor Type | spicy |
| Water Solubility | insoluble, <0.1 g/100 mL at 18 ºC |
| Merck | 13,8395 |
| BRN | 136380 |
| Dielectric constant | 3.1（21℃） |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
| LogP | 3.098 (est) |
| CAS DataBase Reference | 94-59-7(CAS DataBase Reference) |
| IARC | 2B (Vol. 10, Sup 7) 1987 |
| NIST Chemistry Reference | 1,3-Benzodioxole, 5-(2-propenyl)-(94-59-7) |
| EPA Substance Registry System | Safrole (94-59-7) |
Description and Uses
In the early 1990s, certain forest shrubs of the Piperaceae, indigenous to the humid forests of Central America and Greater Amazonia, were found to contain high levels of safrole in their leaves. The Brazilian Amazon contains a wide variety of Piper species but attention had focused on P. hispidinervum and P. callosum, two species with high safrole content. Subsequently, P. callosum has been dropped in the research work in favor of the more promising P. hispidinervum. The essential oil of P. hispidinervum contains high levels (83–93%) of safrole in leaves, which can be easily extracted by hydrodistillation.
Safrole, the main component of oil of sassafras, is widely used as a flavoring agent in drugs and in the manufacture of heliotropin, perfumes, soaps, and piperonyl butoxide (a compound used in a variety of insecticides to enhance the pesticidal properties of other active ingredients). Safrole has also been used as a preservative in mucilage and library paste and as a flotation frother. Oil of sassafras, which contains safrole, was formerly used to flavor some soft drinks, such as root beer. However, this was banned in the United States in 1960. Safrole has also been used in the illicit production of the drug 3,4- methylenedioxymethamphetamine (MDMA or ecstasy) and the US Drug Enforcement Administration has designated safrole a List I Chemical.
Safety
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302-H315-H341-H350 |
| Precautionary statements | P202-P264-P270-P301+P312-P302+P352-P308+P313 |
| Hazard Codes | T |
| Risk Statements | 45-22-68 |
| Safety Statements | 53-45 |
| RIDADR | UN 3082 9/PG 3 |
| WGK Germany | 3 |
| RTECS | CY2800000 |
| HS Code | 29329400 |
| Hazardous Substances Data | 94-59-7(Hazardous Substances Data) |
| Toxicity | LD50 in rats, mice (mg/kg): 1950, 2350 orally (Hagan) |
