ISOSAFROLE
- CAS No.
- 120-58-1
- Chemical Name:
- ISOSAFROLE
- Synonyms
- Izosafrol;ISOSAFROL;ISOSAFROLE;Isosafrole (95-98%);rcrawastenumberu141;Isosafrole Solution;ISOSAFROLE (REFINED);ISOSAFROL (CIS+TRANS);Rcra waste number U141;5-Propenyl-1,3-benzodioxol
- CBNumber:
- CB3775853
- Molecular Formula:
- C10H10O2
- Molecular Weight:
- 162.19
- MDL Number:
- MFCD00005838
- MOL File:
- 120-58-1.mol
| Melting point | 7.5°C |
|---|---|
| Boiling point | 77-86 °C3.5 mm Hg(lit.) |
| Density | 1.12 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Flash point | >230 °F |
| storage temp. | Store at -20°C |
| solubility | insoluble in H2O; ≥76.4 mg/mL in EtOH; ≥8.8 mg/mL in DMSO |
| form | oil |
| color | yellow |
| Odor | at 10.00 % in dipropylene glycol. sweet sassafrass spicy |
| Odor Type | spicy |
| Merck | 13,5244 |
| Dielectric constant | 3.4（21℃） |
| LogP | 3.344 (est) |
| CAS DataBase Reference | 120-58-1(CAS DataBase Reference) |
| EWG's Food Scores | 2-4 |
| FDA UNII | W6337429LF |
| IARC | 3 (Vol. 10, Sup 7) 1987 |
| EPA Substance Registry System | Isosafrole (120-58-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302-H341-H350 | |||||||||
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-38 | |||||||||
| Safety Statements | 36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DA5950000 | |||||||||
| HS Code | 29329100 | |||||||||
| Toxicity | LD50 oral in rat: 1340mg/kg | |||||||||
| NFPA 704 |
|
ISOSAFROLE Chemical Properties,Uses,Production
Description
Isosafrole has an anise odor. It may be synthesized by alkaline isomerization of safrole using KOH at the boil or an alcoholic NaOH solution at room temperature under pressure.
Chemical Properties
CLEAR SLIGHTLY YELLOW LIQUID
Chemical Properties
Isosafrole has an anise-like odor. Use of isosafrole in foods is not permitted in the United States
Occurrence
Of the two isomers (cis- and trans-), the trans-form is the more stable and has been isolated in the pure state, probably occurring in the essential oil of ylang-ylang; it has been identified in the oils of Illicium religiosum and Ligusticum acutilobum Sieb. and Zucc.
Uses
Manufacture of heliotropin, perfumes, flavors, pesticide synergists.
Preparation
From safrole by treatment with potassium or sodium hydroxide in the dry state or alcoholic solution, under pressure or at atmospheric pressure (Arctander, 1969).
Definition
ChEBI: Isosafrole is a member of benzodioxoles.
General Description
Colorless fragrant liquid with odor of anise. Used in small quantities in root beer and sarsaparilla flavors.
Reactivity Profile
ISOSAFROLE may react with strong reducing agents.
Hazard
Questionable carcinogen.
Metabolism
On oxidation, isosafrole gives rise initially to an allyl alcohol and another, unidentified, conjugated alcohol, which are further oxidized to the vinyl ketone and piperonyl acrolein, respectively. Condensation of On oxidation, isosafrole gives rise initially to an allyl alcohol and another, unidentified, conjugated alcohol, which are further oxidized to the vinyl ketone and piperonyl acrolein, respectively. Condensation of the vinyl ketone with an amine would then lead to the formation of tertiary aminomethylenedioxypropiophenones (Mannich bases) (McKinney, Oswald, Fishbein & Walker, 1972).
ISOSAFROLE Preparation Products And Raw materials
Raw materials
Preparation Products
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