117870

trans-Anethole

99%

• Synonyma: 4-Propenylanisole, trans-1-Methoxy-4-(1-propenyl)benzene
• Lineární vzorec: CH₃CH=CHC₆H₄OCH₃
• Číslo CAS: 4180-23-8
• Molekulová hmotnost: 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

Vlastnosti

• 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

Popis

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.

Bezpečnostní informace

• Piktogramy: GHS07,GHS09
• Výstražné slovo: Warning
• Kódy nebezpečí: H317,H411
• Bezpečnostní pokyny: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Chronic 2 - Skin Sens. 1
• Skladovací třída: 10 - Combustible liquids
• Co se děje?: WGK 2
• Bod vzplanutí (°F): 213.8 °F
• Bod vzplanutí (°C): 101 °C
• PPE (osobní ochranné prostředky): dust mask type N95 (US), Eyeshields, Faceshields, Gloves