Safrole
SIAL/08010 - certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
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
| application(s) | cleaning products cosmetics food and beverages personal care |
| bp | 232-234 °C (lit.) |
| density | 1.095 g/mL at 25 °C (lit.) |
| format | neat |
| grade | TraceCERT® |
| certified reference material | |
| InChI | 1S/C10H10O2/c1-2-3-8-4-5- |
| InChI key | ZMQAAUBTXCXRIC-UHFFFAOYSA |
| manufacturer/tradename | Manufactured by: Sigma-Aldrich Production GmbH, Switzerland |
| mp | 11.2 °C (lit.) |
| product line | TraceCERT® |
| Quality Level | 300  |
| refractive index | n |
| SMILES string | C=CCc1ccc2OCOc2c1 |
| storage temp. | 2-8°C |
| technique(s) | gas chromatography (GC): suitable |
| vapor pressure | 1 mmHg ( 63.8 °C) |
| 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. |
| General description: | This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ. Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate. Download your certificate at: http://www.sigma-aldrich. |
| Legal Information: | TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Other Notes: | Principal constituent of sassafras oil |
| Packaging: | Bottomless glass bottle. Contents are inside inserted fused cone. |
| 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 |
| bp | 232-234 °C (lit.) |
| mp | 11.2 °C (lit.) |
| Density | 1.095 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 41116107 |