Safrole

Safrole is an organic compound with the formula CH₂O₂C₆H₃CH₂CH=CH₂. It is a colorless oily liquid, although impure samples can appear yellow. A member of the phenylpropanoid family of natural products, it is found in sassafras plants, among others. Small amounts are found in a wide variety of plants, where it functions as a natural antifeedant.[2] Ocotea pretiosa,[3] which grows in Brazil, and Sassafras albidum,[2] which grows in eastern North America, are the main natural sources of safrole. It has a characteristic "sweet-shop" aroma.

Quick facts: Names, Identifiers, Properties, Hazards... ▼

Safrole[1]

Names
Preferred IUPAC name 5-(Prop-2-en-1-yl)-2H-1,3-benzodioxole
Other names 5-(2-Propenyl)-1,3-benzodioxole 5-Allylbenzo[d][1,3]dioxole 3,4-Methylenedioxyphenyl-2-propene
Identifiers
CAS Number	94-59-7 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:8994 Y
ChEMBL	ChEMBL242273 Y
ChemSpider	13848731 Y
ECHA InfoCard	100.002.133
EC Number	202-345-4
KEGG	C10490 Y
PubChem CID	5144
RTECS number	CY2800000
UNII	RSB34337V9 Y
UN number	3082
CompTox Dashboard (EPA)	DTXSID0021254
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 Y Key: ZMQAAUBTXCXRIC-UHFFFAOYSA-N Y InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 Key: ZMQAAUBTXCXRIC-UHFFFAOYAD
SMILES C=CCc1ccc2OCOc2c1
Properties
Chemical formula	C10H10O2
Molar mass	162.188 g·mol−1
Density	1.096 g/cm3
Melting point	11 °C (52 °F; 284 K)
Boiling point	232 to 234 °C (450 to 453 °F; 505 to 507 K)
Magnetic susceptibility (χ)	−97.5×10−6 cm3/mol
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H302, H341, H350
Precautionary statements	P201, P281, P308+P313
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

It is a precursor in the synthesis of the insecticide synergist piperonyl butoxide, the fragrance piperonal via isosafrole, and the empathogenic/entactogenic substance MDMA.