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Basic Description
| Synonyms | 4-Ethyl-1,2-benzenediol # | InChI=1/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3 | ETHYLPYROCATECHOL, 4- | 3,4-Dihydroxyethylbenzene | 1,2-Benzenediol,4-ethyl- | FT-0668198 | AKOS016008639 | AMY19655 | J-002778 | 1-(2,5-Dimethoxy-4-iodophenyl)-2-ami |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Benzenediols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Catechols |
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety. |
| External Descriptors | Not available |
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Associated Targets(Human)
TRPA1
Tclin
Transient receptor potential cation channel subfamily A member 1 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Associated Targets(non-human)
Trpa1
Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488184589 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184589 |
| IUPAC Name | 4-ethylbenzene-1,2-diol |
| INCHI | InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3 |
| InChIKey | HFLGBNBLMBSXEM-UHFFFAOYSA-N |
| Smiles | CCC1=CC(=C(C=C1)O)O |
| Isomeric SMILES | CCC1=CC(=C(C=C1)O)O |
| WGK Germany | 3 |
| Molecular Weight | 138.16 |
| Reaxy-Rn | 2042062 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042062&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2417188 |
Certificate of Analysis | Dec 31, 2024 | E165960 |
| K2104582 |
Certificate of Analysis | Aug 20, 2024 | E165960 |
| K2104584 |
Certificate of Analysis | Aug 20, 2024 | E165960 |
| G2415182 |
Certificate of Analysis | Apr 27, 2024 | E165960 |
| G2410395 |
Certificate of Analysis | Apr 27, 2024 | E165960 |
| K2209337 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| G2312062 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| L2417189 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| K2208512 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| K2208482 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| K2208419 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| G2312064 |
Certificate of Analysis | Aug 22, 2022 | E165960 |
| G2226063 |
Certificate of Analysis | Aug 10, 2022 | E165960 |
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Chemical and Physical Properties
| Flash Point(°F) | >230 °F |
|---|---|
| Flash Point(°C) | >110 °C |
| Molecular Weight | 138.160 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 138.068 Da |
| Monoisotopic Mass | 138.068 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| 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 |
Documents & Articles
Catecholborane
Categories: Technical articles
Citations of This Product
| 1. Shuang Zhao, Tong Bu, Kairong Yang, Zhihao Xu, Feier Bai, Kunyi He, Lihua Li, Li Wang. (2021) Immunochromatographic Assay Based on Polydopamine-Decorated Iridium Oxide Nanoparticles for the Rapid Detection of Salbutamol in Food Samples. ACS Applied Materials & Interfaces, 13 (24): (28899–28907). |
| 2. Shaolan Xu, Ganggang Zhang, Bolong Fang, Qirong Xiong, Hongwei Duan, Weihua Lai. (2019) Lateral Flow Immunoassay Based on Polydopamine-Coated Gold Nanoparticles for the Sensitive Detection of Zearalenone in Maize. ACS Applied Materials & Interfaces, 11 (34): (31283–31290). |
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