08010

Safrole

certified reference material, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

• Synonym(s): 4-Allyl-1,2-methylenedioxybenzene, 5-Allyl-1,3-benzodioxole
• Empirical Formula (Hill Notation): C₁₀H₁₀O₂
• CAS Number: 94-59-7
• Molecular Weight: 162.19
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329748537
• EC Number: 202-345-4
• Beilstein/REAXYS Number: 136380
• MDL number: MFCD00005841

Properties

• Quality Segment: 300
• vapor pressure: 1 mmHg ( 63.8 °C)
• product line: TraceCERT^®
• grade: certified reference material, TraceCERT^®
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.537 (lit.)
• bp: 232-234 °C (lit.)
• mp: 11.2 °C (lit.)
• density: 1.095 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat
• storage temp.: 2-8°C
• SMILES string: C=CCc1ccc2OCOc2c1
• InChI: 1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
• InChI key: ZMQAAUBTXCXRIC-UHFFFAOYSA-N

Description

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.com.

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.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Principal constituent of sassafras oil

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H341,H350
• pcodes: P202 - P264 - P280 - P301 + P312 - P302 + P352 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Carc. 1B - Muta. 2 - Skin Irrit. 2
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• flash_point_f: 212.0 °F - closed cup
• flash_point_c: 100 °C - closed cup