Safrole
SIGMA/S9652 - ≥97%
Synonym: 4-
CAS Number: 94-59-7
Empirical Formula (Hill Notation): C10H10O2
Molecular Weight: 162.19
EC Number: 202-345-4
MDL Number: MFCD00005841
Linear Formula: C10H10O2
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: S9652-500ML.
| application(s) | metabolomics vitamins, nutraceuticals, and natural products |
| assay | ≥97% |
| bp | 232-234 °C (lit.) |
| color | yellow |
| density | 1.095 g/mL at 25 °C (lit.) |
| InChI | 1S/C10H10O2/c1-2-3-8-4-5- |
| InChI key | ZMQAAUBTXCXRIC-UHFFFAOYSA |
| mp | 11.2 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | C=CCc1ccc2OCOc2c1 |
| vapor pressure | 1 mmHg ( 63.8 °C) |
| Application: | Safrole has been used to investigate the role of aldehyde dehydrogenase 3A1 (ALDH3A1) in conferring cisplatin resistance to head and neck squamous cell carcinoma (HNSCC). |
| Biochem/physiol Actions: | Safrole is a naturally-occurring genotoxic compound found in Sassafras root and Areca (betel) quid. It is a hepatocarcinogen, and safrole-DNA adducts have also been seen in oral cancers of Areca users. Metabolites of safrole form adducts with DNA and induce chromasomal aberrations and sister chromatid exchanges. |
| Biochem/physiol Actions: | Safrole is one of the vital food‐borne phytotoxins. It is present in various natural products such as spices including anise, basil, nutmeg and pepper. It exhibits cytotoxic effect in human tongue squamous carcinoma SCC‐4 cells by promoting apoptosis via mitochondria‐ and caspase‐dependent signal pathways. |
| General description: | Safrole is used as a counter irritant and for treating parasitic infections. |
| Other Notes: | Principal constituent of sassafras oil |
| Packaging: | 50, 500 mL in glass bottle |
| Symbol |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 - H341 - H350 |
| Precautionary statements | P201 - P301 + P312 + P330 - P308 + P313 |
| Hazard Codes | T |
| Risk Statements | 45-22-68 |
| Safety Statements | 53-45 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 212.0 °F - closed cup |
| Flash Point(C) | 100 °C - closed cup |
| Purity | ≥97% |
| bp | 232-234 °C (lit.) |
| mp | 11.2 °C (lit.) |
| Density | 1.095 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352200 |