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trans-Anethole

ALDRICH/117870 - 99%

Synonym: 4-Propenylanisole; trans-1-Methoxy-4-(1-propenyl)benzene

CAS Number: 4180-23-8
Empirical Formula (Hill Notation): C10H12O
Molecular Weight: 148.20
EC Number: 224-052-0
MDL Number: MFCD00009284
Linear Formula: CH3CH=CHC6H4OCH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-117870-25ML 25 mL
 $72.10
1/EA		 Add To Favorites
45-117870-100ML 100 mL
 $169.00
1/EA		 Add To Favorites

 

assay 99%
bp 234-237 °C (lit.)
density 0.988 g/mL at 25 °C (lit.)
form solid or liquid
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
mp 20-21 °C (lit.)
Quality Level 200 
refractive index n20/D 1.561 (lit.)
SMILES string COc1ccc(C=CC)cc1
solubility acetone: soluble
  alcohol: freely soluble
  benzene: soluble
  carbon disulfide: soluble
  chloroform: miscible
  diethyl ether: miscible
  ethyl acetate: soluble
  H2O: very slightly soluble
  petroleum ether: soluble
Application: trans-Anethole was used as carbon and energy supplement in the culture media of Pseudomonas putida strain, JYR-1 .
Biochem/physiol Actions: Major metabolite of trans-anethole in human volunteers was 4-methoxyhippuric acid. It can be metabolized by a Arthrobacter strain (TA13).
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: trans-Anethole is the chief component of several essential oils including star anise, anise seed oil and sweet fennel. It is a commercial flavor substance in baked goods, candy,ice cream, chewing gum, and alcoholic beverages.
Packaging: 25, 100 mL in glass bottle
Purity 99%
bp 234-237 °C (lit.)
mp 20-21 °C (lit.)
Density 0.988 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.561 (lit.)
UNSPSC 12352100

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