00130595

trans-Anethole

primary reference standard

• 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: 774229
• EC Number: 224-052-0
• MDL number: MFCD00009284
• UNSPSC Code: 85151701
• PubChem Substance ID: 329747004
• NACRES: NA.24

Properties

• grade: pharmaceutical primary standard; primary reference standard
• form: crystals (white); liquid (above 23 ^oC)
• manufacturer/tradename: HWI
• 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.: −20°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

Application

Reference Standard in the analysis of herbal medicinal products

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.

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H317,H411
• Precautionary Statements: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Chronic 2 - Skin Sens. 1
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 213.8 °F
• Flash Point(C): 101 °C