CAS Number4180-23-8
Synonyms4-Propenylanisole (trans-1-Methoxy-4-(1-propenyl)benzene; trans-isoestragole; trans-p-Propenylanisole; MFCD00009284; 4-Propenylanisole; trans-anisol; trans-p-Methoxypropenylbenzene; trans-methylchavicol; Anise camphor; trans-Anethol; Anethole; trans-1-Methoxy-4-(1-propenyl)benzene; anis camphor; (E)-1-Methoxy-4-(prop-1-en-1-yl)benzene; ANETHOLUM; EINECS 224-052-0
Molecular FormulaCH3CH=CHC6H4OCH3
Molecular Weight148.20
Purity99%
Density0.9875
Boiling Point234-237 °C (lit.)
Melting Point20-21 °C (lit.)
Appearancesolid or liquid
EINECS224-052-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4180-23-8 |
| Catalog No. | 2A-9009200 |
| Chinese Name | 茴香烯 |
| Synonyms | 4-Propenylanisole (trans-1-Methoxy-4-(1-propenyl)benzene; trans-isoestragole; trans-p-Propenylanisole; MFCD00009284; 4-Propenylanisole; trans-anisol; trans-p-Methoxypropenylbenzene; trans-methylchavicol; Anise camphor; trans-Anethol; Anethole; trans-1-Methoxy-4-(1-propenyl)benzene; anis camphor; (E)-1-Methoxy-4-(prop-1-en-1-yl)benzene; ANETHOLUM; EINECS 224-052-0 |
| Molecular Formula | CH3CH=CHC6H4OCH3 |
| Molecular Weight | 148.20 |
| Purity | 99 |
| Density | 0.9875 |
| Boiling Point | 234-237 °C (lit.) |
| Melting Point | 20-21 °C (lit.) |
| Appearance | solid or liquid |
| Water Solubility | practically insoluble |
| Storage Condition | This product should be sealed and stored in a cool |
| Application | Trans-Anethole ((E)-Anethole) is a phenylpropene derivative isolated from Pimpinella. It has estrogenic activity at low concentrations and is cytotoxic at high concentrations in tumor cell lines. Tran |
| EINECS | 224-052-0 |
| HTC | 29093090 |
| PubChem ID | 24847351 |
| MDL Number | MFCD00009284 |
| SMILES | 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 |
| Beilstein/REAXYS | 774229 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 4.1 |
| MSDS | msds/9200_1_4180_23_8.pdf |
| Bioactivity | Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Pimpinella, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3]. Related Catalog Research Areas >> Endocrinology Signaling Pathways >> Others >> Others References [1]. Tabanca N, et al. Estrogenic activity of isolated compounds and essential oils of Pimpinella species from Turkey, evaluated using a recombinant yeast screen. Planta Med. 2004 Aug;70(8):728-35. [2]. Nakagawa Y, et al. Cytotoxic and xenoestrogenic effects via biotransformation of trans-anethole on isolated rat hepatocytes and cultured MCF-7 human breast cancer cells. Biochem Pharmacol. 2003 Jul 1;66(1):63-73. [3]. Fahlbusch, et al. "Flavors and Fragrances", Ullmann's Encyclopedia of Industrial Chemistry, Weinheim: Wiley-VCH. Chemical & Physical Properties Density 0.9875 Boiling Point 234-237ºC Melting Point 23ºC Molecular Formula C10H12O Molecular Weight 148.20 Flash Point 90ºC Exact Mass 148.08900 PSA 9.23000 LogP 2.72830 Index of Refraction 1.559-1.562 Storage condition 2-8°C Water Solubility practically insoluble |
| Use of | Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Pimpinella, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3]. Properties Articles41 Name trans-Anethole Synonym More Synonyms trans-Anethole Biological Activity Description Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Pimpinella, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3]. Related Catalog Research Areas >> Endocrinology Signaling Pathways >> Others >> Others References [1]. Tabanca N, et al. Estrogenic activity of isolated compounds and essential oils of Pimpinella species from Turkey, evaluated using a recombinant yeast screen. Planta Med. 2004 Aug;70(8):728-35. [2]. Nakagawa Y, et al. Cytotoxic and xenoestrogenic effects via biotransformation of trans-anethole on isolated rat hepatocytes and cultured MCF-7 human breast cancer cells. Biochem Pharmacol. 2003 Jul 1;66(1):63-73. [3]. Fahlbusch, et al. "Flavors and Fragrances", Ullmann's Encyclopedia of Industrial Chemistry, Weinheim: Wiley-VCH. Chemical & Physical Properties Molecular Formula C10H12O Exact Mass 148.08900 PSA 9.23000 LogP 2.72830 Index of Refraction 1.559-1.562 Water Solubility practically insoluble |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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