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Merck
CN

PHL89158

trans-Anethole

phyproof® Reference Substance

Synonym(s):

4-Propenylanisole, trans-1-Methoxy-4-(1-propenyl)benzene

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About This Item

Linear Formula:
CH3CH=CHC6H4OCH3
CAS Number:
4180-23-8
Molecular Weight:
148.20
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
774229
MDL number:
MFCD00009284

Key Documents

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Product Name

trans-Anethole, phyproof® Reference Substance

SMILES string

COc1ccc(\C=C\C)cc1

InChI key

RUVINXPYWBROJD-ONEGZZNKSA-N

InChI

1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

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

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Related Categories

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.

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

Legal Information

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

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H317,H411

Hazard Classifications

Aquatic Chronic 2 - Skin Sens. 1

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

213.8 °F

flash_point_c

101 °C

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Certificates of Analysis (COA)

Lot/Batch Number
185151
103883318

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