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Basic Description
| Synonyms | Methylisoeugenol | 93-16-3 | trans-Methylisoeugenol | Methyl isoeugenol | Isomethyleugenol | 6379-72-2 | 4-Propenylveratrole | Isohomogenol | 4-trans-Propenylveratrole | trans-4-Propenylveratrole | Isoeugenol methyl ether | trans-isomethyleugenol | 1-Veratryl-1-propene | (E)-1,2-D |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Styrene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | isomethyleugenol |
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Associated Targets(Human)
A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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KB (17409 Activities)
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Associated Targets(non-human)
Saccharomyces cerevisiae (19171 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Candida albicans (78123 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene |
|---|---|
| INCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+ |
| InChIKey | NNWHUJCUHAELCL-SNAWJCMRSA-N |
| Smiles | CC=CC1=CC(=C(C=C1)OC)OC |
| Isomeric SMILES | C/C=C/C1=CC(=C(C=C1)OC)OC |
| WGK Germany | 2 |
| RTECS | CZ7000000 |
| Molecular Weight | 178.23 |
| Reaxy-Rn | 880472 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880472&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | 1.569 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 262-264°C |
| Melt Point(°C) | 98-100°C |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Guangping Xia, Guihua Ruan, Yipeng Huang, Haoyun Hu, Shi Yu, Bingmei Lai, Zhenyu Li, Yun Zhang, Ningli Tang. (2023) Highly efficient enrichment of eugenol anesthetics in aquatic products using magnetic nanospheres decorated covalent organic framework microflowers. MICROCHEMICAL JOURNAL, 195 (109362). |
| 2. Jianbin Ju, Yuji Ruan, Huifeng Deng, Xiaowen Huang, Guihua Ruan, Yipeng Huang. (2025) Facile synthesis of thiocyano-functionalized dendritic mesoporous silica spheres for efficient extraction of eugenol anesthetics from aquatic products. MICROCHEMICAL JOURNAL, 211 (113078). |
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