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Basic Description
| Synonyms | AKOS015889101 | J-016265 | TOLUENE, 3,4-DIETHOXY- | 1,2-diethoxy-4-methylbenzene | EINECS 220-039-9 | UNII-HJ8K4Y5ZTR | 3,4-Diethoxytoluene, 96% | DTXSID80180758 | Benzene, 1,2-diethoxy-4-methyl- | SCHEMBL805356 | HJ8K4Y5ZTR | ABJOFFUIJZDZBE-UHFFFAOYSA-N |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Phenol ethers
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Toluenes Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Toluene - 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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488185167 |
|---|---|
| IUPAC Name | 1,2-diethoxy-4-methylbenzene |
| INCHI | InChI=1S/C11H16O2/c1-4-12-10-7-6-9(3)8-11(10)13-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | ABJOFFUIJZDZBE-UHFFFAOYSA-N |
| Smiles | CCOC1=C(C=C(C=C1)C)OCC |
| Isomeric SMILES | CCOC1=C(C=C(C=C1)C)OCC |
| WGK Germany | 3 |
| Molecular Weight | 180.24 |
| Reaxy-Rn | 1947570 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947570&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 |
|---|---|---|---|
 C2330275 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| C2331279 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| C2331268 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| C2331278 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| C2331285 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| C2331280 |
Certificate of Analysis | Nov 23, 2022 | D331348 |
| B23091088 |
Certificate of Analysis | Nov 16, 2022 | D331348 |
| B23091276 |
Certificate of Analysis | Nov 16, 2022 | D331348 |
| B2309914 |
Certificate of Analysis | Nov 16, 2022 | D331348 |
Chemical and Physical Properties
| Flash Point(°F) | 215.6 °F |
|---|---|
| Flash Point(°C) | 102 °C |
| Molecular Weight | 180.240 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.115 Da |
| Monoisotopic Mass | 180.115 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |
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