Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528760719 |
|---|---|
| Canonical Smiles | COC1=CC=C(C=C1)CC=C |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| InChIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)CC=C |
| WGK Germany | 3 |
| RTECS | BZ8225000 |
| Molecular Weight | 148.21 |
| Beilstein | 1099450 |
| Reaxy-Rn | 1099454 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099454&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | an aromatic compound |
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| Refractive Index | 1.52 |
|---|---|
| Flash Point(°F) | 177.8 °F |
| Flash Point(°C) | 81 °C |
| Boil Point(°C) | 220 °C |
| Melt Point(°C) | 220 °C |
| Molecular Weight | 148.200 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 148.089 Da |
| Monoisotopic Mass | 148.089 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 112.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Tianming Zhao, Guang Fan, You Tai, Xinhe Shu, Fu Tian, Shuliang Zou, Qin Wu. (2023) Chemical characterization, antioxidant, antimicrobial, enzyme inhibitory and cytotoxic activities of Illicium lanceolatum essential oils. Arabian Journal of Chemistry, [PMID:] [10.1016/j.arabjc.2023.105366] |
| 2. Liuke Liang, Wei Zhang, Jing Hao, Yanyu Wang, Shan Wei, Shuaibing Zhang, Yuansen Hu, Yangyong Lv. (2023) Estragole Inhibits Growth and Aflatoxin Biosynthesis of Aspergillus flavus by Affecting Reactive Oxygen Species Homeostasis. Microbiology Spectrum, 11 (4): [PMID:37289093] [10.1128/spectrum.01348-23] |
| 3. Liu Ying, Liu Xin, Gao Ying, Dong Shijian, Xiang Xiaole, Ma Lulu, Li Shugang. (2023) Recognition and identification of compounds contributing to off-flavor of egg white powder by molecular sensory science approach. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, 249 (7): (1749-1759). [PMID:] [10.1007/s00217-023-04249-2] |
| 4. Lin Wang, Cong Li, Sam Al-Dalali, Yiyang Liu, Hui Zhou, Conggui Chen, Baocai Xu, Ying Wang. (2022) Characterization of key aroma compounds in traditional beef soup. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2022.104839] |
| 5. Zhunjing Wang, Yongjian Xie, Maidinai Sabier, Tao Zhang, Jianyu Deng, Xuming Song, Zhihong Liao, Qingguang Li, Shengxiang Yang, Yang Cao, Xingquan Liu, Guoxin Zhou. (2021) Trans-anethole is a potent toxic fumigant that partially inhibits rusty grain beetle (Cryptolestes ferrugineus) acetylcholinesterase activity. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2020.113207] |
| 6. Zujin Yang, Liyun Huang, Xingdong Yao, Hongbing Ji. (2016) Host-guest complexes of estragole with β-cyclodextrin: an experimental and theoretical investigation. FLAVOUR AND FRAGRANCE JOURNAL, 32 (2): (102-111). [PMID:] [10.1002/ffj.3358] |
| 7. Zhang Bin, Yuan Haiyang, Liu Ye, Deng Zijie, Douthwaite Mark, Dummer Nicholas F., Lewis Richard J., Liu Xingwu, Luan Sen, Dong Minghua, Wang Tianjiao, Xu Qingling, Zhao Zhijuan, Liu Huizhen, Han Buxing, Hutchings Graham J.. (2024) Ambient-pressure alkoxycarbonylation for sustainable synthesis of ester. Nature Communications, 15 (1): (1-13). [PMID:39244602] [10.1038/s41467-024-52163-2] |
| 8. Jiacheng Li, Cong Li, Xueli Chen, Xianyan Liao, Hui Zhou, Baocai Xu, Li Zhang, Liming Jiang. (2025) Characteristic aroma changes during the sauce-flavoured black pork processing based on HS-SPME-GC-O-MS and aroma recombination/omission experiments of the final product. FOOD RESEARCH INTERNATIONAL, [PMID:41606840] [10.1016/j.foodres.2025.117225] |
| 9. Jinhao Zou, Xuping Wang, Jingrong Cheng, Xueming Liu, Yantian Tang, Anping Li, Daobang Tang. (2026) Elucidating key aroma compounds of braised squab and providing insights into their potential precursor. FOOD CHEMISTRY, [PMID:] [10.1016/j.foodchem.2026.149613] |