PHL89158

trans-Anethole

phyproof^® Reference Substance

• Synonym(s): 4-Propenylanisole, trans-1-Methoxy-4-(1-propenyl)benzene
• Linear Formula: CH₃CH=CHC₆H₄OCH₃
• CAS Number: 4180-23-8
• Molecular Weight: 148.20
• Beilstein/REAXYS Number: 774229
• MDL number: MFCD00009284
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• assay: ≥95.0% (GC)
• form: liquid
• manufacturer/tradename: PhytoLab
• refractive index: n20/D 1.561 (lit.)
• bp: 234-237 °C (lit.)
• mp: 20-21 °C (lit.)
• density: 0.988 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: COc1ccc(\C=C\C)cc1
• InChI: 1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
• InChI key: RUVINXPYWBROJD-ONEGZZNKSA-N

Description

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Biochem/physiol Actions

Naturally occurring phenylpropene derivative that is estrogenic at lower concentrations and cytotoxic at higher concentrations to cancer cell lines. The cytotoxicity is related to the metabolism of trans-anethole to 4-hydroxy-1-propenylbenzene.

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H317,H411
• pcodes: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Chronic 2 - Skin Sens. 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 213.8 °F
• flash_point_c: 101 °C