| Identification | More | [Name]
ISOSAFROLE | [CAS]
120-58-1 | [Synonyms]
1,2-METHYLENEDIOXY-4-(1-PROPENYL)BENZENE
1,2-(METHYLENEDIOXY)-4-PROPENYLBENZENE
((E)-5-PROPENYL)-BENZO[1,3]DIOXOLE
ISOSAFROL
ISOSAFROLE
1,2-(methylenedioxy)-4-propenyl-benzen
1,2-Methylendioxy-4-propenylbenzol
3,4-(Methylenedioxy)-1-propenylbenzene
3,4-(methylenedioxy)propenylbenzene
3,4-Methylenedihydroxy-1-propenylbenzene
3,4-methylenedioxy-1-propenylbenzene
4-Propenyl-1,2-methylenedioxybenzene
4-Propenylcatechol methylene ether
4-propenylcatecholmethyleneether
5-(1-Propenyl)-1,3-benzodioxole
5-(1-Propenyl)-1,3-benzodioxoleq
5-(1-propenyl)-3-benzodioxole
5-(propen-1-yl)-1,3-benzodioxole
5-[(1E)-1-Propenyl]-1,3-benzodioxole
5-cis/trans-propenyl-benzo-1,3-dioxole | [EINECS(EC#)]
204-410-2 | [Molecular Formula]
C10H10O2 | [MDL Number]
MFCD00005838 | [Molecular Weight]
162.19 | [MOL File]
120-58-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR SLIGHTLY YELLOW LIQUID | [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 ]
n20/D 1.573(lit.)
| [Fp ]
>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) | [Uses]
Manufacture of heliotropin, perfumes, flavors,
pesticide synergists. | [CAS DataBase Reference]
120-58-1(CAS DataBase Reference) | [IARC]
3 (Vol. 10, Sup 7) 1987 | [EPA Substance Registry System]
Isosafrole (120-58-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R38:Irritating to the skin. | [Safety Statements ]
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
DA5950000
| [HS Code ]
29329100 | [Hazardous Substances Data]
120-58-1(Hazardous Substances Data) | [Toxicity]
LD50 oral in rat: 1340mg/kg |
| Hazard Information | Back Directory | [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. | [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. | [Definition]
ChEBI: Isosafrole is a member of benzodioxoles. | [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). | [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). | [storage]
Store at -20°C |
|