CAS 4180-23-8|trans-Anethole
| Common Name | trans-Anethole | ||
|---|---|---|---|
| CAS Number | 4180-23-8 | Molecular Weight | 148.20 |
| Density | 0.9875 | Boiling Point | 234-237ºC |
| Molecular Formula | C10H12O | Melting Point | 23ºC |
| MSDS | ChineseUSA | Flash Point | 90ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | trans-Anethole |
|---|---|
| Synonym | More Synonyms |
trans-Anethole BiologicalActivity
| 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 >>EndocrinologySignaling 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 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2090 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3050 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 2167 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1050 gm/kg/21D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 54 gm/kg/90D-C
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2100 mg/kg/7D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 286 gm/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 800 mg/kg
- SEX/DURATION :
- female 1-10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
- TYPE OF TEST :
- Morphological transformation
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 24 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 326,199,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2789 No. of Facilities: 1062 (estimated) No. of Industries: 27 No. of Occupations: 29 No. of Employees: 35416 (estimated) No. of Female Employees: 9094 (estimated)
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 24 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 326,199,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2789 No. of Facilities: 1062 (estimated) No. of Industries: 27 No. of Occupations: 29 No. of Employees: 35416 (estimated) No. of Female Employees: 9094 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H317 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R43 |
| Safety Phrases | S36/37 |
| RIDADR | 1325.0 |
| WGK Germany | 2 |
| RTECS | BZ9275000 |
| Hazard Class | 4.1 |
| HS Code | 29093090 |
Customs
| HS Code | 29093090 |
|---|
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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 |
