1-methoxy-4-(1-propenyl)-,(E)-Benzene
trans-Anethole
CAS: 4180-23-8
Molecular Formula: C10H12O
1-methoxy-4-(1-propenyl)-,(E)-Benzene - Names and Identifiers
| Name | trans-Anethole |
| Synonyms | FEMA 2086 Tran-Anethole trans-Anethole Anethol Natural Synthetic Anethole 4-trans-propenyl-anisole trans-Anethole, stabilized (E)-1-METHOXY-4-(1-PROPENYL)BENZENE 1-methoxy-4-(1-propenyl)-,(E)-Benzene |
| CAS | 4180-23-8 |
| EINECS | 224-052-0 |
| InChI | InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
| InChIKey | RUVINXPYWBROJD-ONEGZZNKSA-N |
1-methoxy-4-(1-propenyl)-,(E)-Benzene - Physico-chemical Properties
| Molecular Formula | C10H12O |
| Molar Mass | 148.2 |
| Density | 0.988g/mLat 25°C(lit.) |
| Melting Point | 20-21°C(lit.) |
| Boling Point | 234-237°C(lit.) |
| Flash Point | 195°F |
| JECFA Number | 217 |
| Water Solubility | practically insoluble |
| Solubility | Almost insoluble in water, miscible with ether and chloroform, soluble in benzene, ethyl acetate, acetone, carbon disulfide and petroleum ether |
| Vapor Presure | 1.33 hPa (63 °C) |
| Appearance | Pale yellow powder (colorless or extremely yellowish liquid above 23°C) |
| Color | Clear colorless to pale yellow |
| Merck | 14,643 |
| BRN | 774229 |
| PH | 7 (H2O) |
| Storage Condition | 2-8°C |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.561(lit.) |
| MDL | MFCD00009284 |
| Physical and Chemical Properties | White crystals, colorless or extremely yellowish liquid above 23 ℃. Fennel-like aroma, sweet. It is easy to deteriorate when exposed to light, heat and air. Oxidation with KMnO4 produced P-Anisic acid (melting point 184 ° C.). The freezing point is 21-22 °c, the melting point is 22.5-23 °c, the boiling point is 234 °c, and the flash point is 92.2 °c. Soluble in ethanol and oil, water-soluble, miscible in chloroform and ether, a few do not dissolve in glycerol and propylene glycol. Natural products are found in anise oil, star anise oil, anise oil, etc. |
1-methoxy-4-(1-propenyl)-,(E)-Benzene - Risk and Safety
| Risk Codes | R43 - May cause sensitization by skin contact R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9 / PGIII |
| WGK Germany | 2 |
| RTECS | BZ9275000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29093090 |
| Toxicity | LD50 orally in Rabbit: 2090 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
1-methoxy-4-(1-propenyl)-,(E)-Benzene - Reference
| Reference Show more | 1. Wang Fang, Shi Dijuan, Yang Wenying, etc. Extraction of trans-anethole from fennel and fennel by oil-immersion method [J]. China condiment, 2015(08):83-85. 2. Liang Zhisen, Chen Yuzhen, Zhou langjun. Rapid and simultaneous determination of seven spices in tea by ultra performance liquid chromatography-tandem mass spectrometry [J]. Food and machinery, 2020,36(11):51-57. 3. Liang Zhisen, Chen Yuzhen, Zhou langjun. Rapid and simultaneous determination of seven spices in tea by ultra performance liquid chromatography-tandem mass spectrometry [J]. Food and machinery, 2020,36(11):51-57. 4. Zhang Jian, Zheng Jinghe, Gao Chenghai, Lin Yu, Li Xuejian, Feng Yuyan, Zheng Xueying, Yinjiang Lin. Optimization of fermentation conditions of Anisic acid-producing strain [J]. Industrial Microbiology, 2021,51(02):22-30. 5. Zhang Jian, Zheng Jinghe, Gao Chenghai, Lin Yu, Li Xuejian, Feng Yuyan, Zheng Xueying, Yinjiang Lin. Optimization of fermentation conditions of Anisic acid-producing strain [J]. Industrial Microbiology, 2021,51(02):22-30. 6. Wang, B., zhang, G., yang, M. et al. Neuroprotective Effect of diabetes the Sciatic Nerve in Mice. Neurochem Res 43, 2404-2422 (2018). https://doi.org/10.1007/s11064-018-2668-7 7. [IF=2.782] Wang Bing et al."Neuroprotective Effect of Anethole Against Neuropathic Pain Induced by Chronic Constriction Injury of the Sciatic Nerve in Mice."Neurochem Res. 2018 Dec;43(12):2404-2422 |
1-methoxy-4-(1-propenyl)-,(E)-Benzene - Reference Information
| FEMA | 2086 | TRANS-ANETHOLE |
| LogP | 3.388 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by gas chromatography (GT-10). The conditions used are: the column length is 160cm, the inner diameter is 2mm, and the material is glass. The filler is polyethylene glycol 20M(Carbowax 20M),15%; The carrier is 60/80 mesh diatomite (Chromosorlb W),85%. The carrier gas is helium with a flow rate of 50ml/min. Flame ionization type for detector. The injection temperature is 230 ℃. The column temperature isothermal section is 130 ℃/3min, the temperature rise rate is 3.5 ℃/min, and the final temperature is equal to 230 ℃. The cis isomer flows out first. Finally, calculate the content by area percentage (including the percentage of cis isomers). |
| toxicity | Adl 0~0.6 (tentative; FAO/WHO circle 1999). GRAS(FDA,§ 182.60,2000). LD502090mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 11; Cold drink 2 candy 340; Baked food 150; Gum sugar 1500; Wine 1400. |
| use | GB 2760-1996 provisions are allowed to use food. Mainly used for seasoning wine, gum sugar, etc. Hexanestrol, intermediates of cholavhe, raw materials for the production of anisaldehyde. Spices, pharmaceutical preparation excipients, etc. A naturally occurring phenylpropylene derivative, with the characteristics of estrogen at low concentrations, and cytotoxic to cancer cells at high concentrations. This cytotoxicity is related to the metabolism of trans-anethole to 4-hydroxy-1-propenylbenzene. |
| production method | essential oils (such as fennel oil) with high anise brain content are separated alone. It is formed by the reaction of p-cresol and formaldehyde and then condensation with acetaldehyde. |
Last Update：2024-04-09 20:52:54
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