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117870

trans-Anethole

99%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847351
EC Number:
224-052-0
Beilstein/REAXYS Number:
774229
MDL number:
MFCD00009284
Assay:
99%
Form:
solid or liquid
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Quality Segment

200

assay

99%

form

solid or liquid

refractive index

n20/D 1.561 (lit.)

bp

234-237 °C (lit.)

mp

20-21 °C (lit.)

solubility

H2O: very slightly soluble, acetone: soluble, alcohol: freely soluble, benzene: soluble, carbon disulfide: soluble, chloroform: miscible, diethyl ether: miscible, ethyl acetate: soluble, petroleum ether: soluble

density

0.988 g/mL at 25 °C (lit.)

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

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.

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).
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.

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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

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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