S9652

Safrole

≥97%

• Synonyme(s) : 4-Allyl-1,2-methylenedioxybenzene, 5-Allyl-1,3-benzodioxole
• Formule empirique (notation de Hill) : C₁₀H₁₀O₂
• CAS Number: 94-59-7
• Poids moléculaire : 162.19
• Beilstein: 136380
• Numéro CE : 202-345-4
• Numéro MDL: MFCD00005841
• Code UNSPSC : 12352200
• ID de substance PubChem : 24899851
• Nomenclature NACRES : NA.25

Propriétés

• Pression de vapeur: 1 mmHg ( 63.8 °C)
• Niveau de qualité: 200
• Essai: ≥97%
• Couleur: yellow
• Indice de réfraction: n20/D 1.537 (lit.)
• pb: 232-234 °C (lit.)
• Pf: 11.2 °C (lit.)
• Densité: 1.095 g/mL at 25 °C (lit.)
• Application(s): metabolomics; vitamins, nutraceuticals, and natural products
• Chaîne SMILES: 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
• Clé InChI: ZMQAAUBTXCXRIC-UHFFFAOYSA-N

Description

Description générale

Safrole is used as a counter irritant and for treating parasitic infections.

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).

Actions biochimiques/physiologiques

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.

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.

Autres remarques

Principal constituent of sassafras oil

Informations sur la sécurité

• Pictogrammes: GHS08,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H302,H315,H341,H350
• Conseils de prudence: P202 - P264 - P280 - P301 + P312 - P302 + P352 - P308 + P313
• Classification des risques: Acute Tox. 4 Oral - Carc. 1B - Muta. 2 - Skin Irrit. 2
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 212.0 °F - closed cup
• Point d'éclair (°C): 100 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter