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117870

Sigma-Aldrich

trans-Anethole

99%

Synonym(s):

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

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25 ML
$72.10
100 ML
$169.00

About This Item

Linear Formula:
CH3CH=CHC6H4OCH3
CAS Number:
Molecular Weight:
148.20
Beilstein/REAXYS Number:
774229
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

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

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This Item
PHR121810368W208604
assay

99%

assay

-

assay

≥99.5% (GC)

assay

≥99%

Quality Level

200

Quality Level

300

Quality Level

100

Quality Level

400

solubility

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

solubility

-

solubility

-

solubility

-

density

0.988 g/mL at 25 °C (lit.)

density

0.988 g/mL at 25 °C (lit.)

density

0.988 g/mL at 25 °C (lit.)

density

0.988 g/mL at 25 °C (lit.)

bp

234-237 °C (lit.)

bp

234-237 °C (lit.)

bp

234-237 °C (lit.)

bp

234-237 °C (lit.)

mp

20-21 °C (lit.)

mp

20-21 °C (lit.)

mp

20-21 °C (lit.)

mp

20-21 °C (lit.)

General description

trans-Anethole is the chief component of several essential oils including star anise, anise seed oil and sweet fennel[1]. It is a commercial flavor substance in baked goods, candy,ice cream, chewing gum, and alcoholic beverages[2].

Application

trans-Anethole was used as carbon and energy supplement in the culture media of Pseudomonas putida strain, JYR-1 [2].

Biochem/physiol Actions

Major metabolite of trans-anethole in human volunteers was 4-methoxyhippuric acid[3]. It can be metabolized by a Arthrobacter strain (TA13)[1].
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.

pictograms

Exclamation markEnvironment

signalword

Warning

hcodes

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

ppe

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


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Questions

1–2 of 2 Questions  
  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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