| Pubchem Sid | 488202611 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202611 |
| Canonical Smiles | C#CCOC1=CC(=C(C=C1C=O)OCC#C)C=O |
| IUPAC Name | 2,5-bis(prop-2-ynoxy)terephthalaldehyde |
| InChIKey | LXIGMDZIEMIPTI-UHFFFAOYSA-N |
| INCHI | 1S/C14H10O4/c1-3-5-17-13-7-12(10-16)14(18-6-4-2)8-11(13)9-15/h1-2,7-10H,5-6H2 |
| Isomeric SMILES | C#CCOC1=CC(=C(C=C1C=O)OCC#C)C=O |
| Molecular Weight | 242.23 |
| Reaxy-Rn | 26615849 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26615849&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Acetylide - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2613344 | Certificate of Analysis | Dec 27, 2025 | B299949 |
| A2613346 | Certificate of Analysis | Dec 27, 2025 | B299949 |
| A2613349 | Certificate of Analysis | Dec 27, 2025 | B299949 |
| K2216326 | Certificate of Analysis | Aug 18, 2025 | B299949 |
| K2216189 | Certificate of Analysis | Aug 18, 2025 | B299949 |
| K2216188 | Certificate of Analysis | Aug 18, 2025 | B299949 |
| K2216185 | Certificate of Analysis | Aug 13, 2025 | B299949 |
| K2216186 | Certificate of Analysis | Aug 13, 2025 | B299949 |
| K2216187 | Certificate of Analysis | Aug 13, 2025 | B299949 |
| H2508325 | Certificate of Analysis | Jun 06, 2025 | B299949 |
| H2508326 | Certificate of Analysis | Jun 06, 2025 | B299949 |
| H2508327 | Certificate of Analysis | Jun 06, 2025 | B299949 |
| J2528239 | Certificate of Analysis | Jun 06, 2025 | B299949 |
| Molecular Weight | 242.230 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 242.058 Da |
| Monoisotopic Mass | 242.058 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| 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. Zhao Wang, Jing He, Xin Li, Jia Chen, Mingxia Sun, Hongdeng Qiu. (2025) Rapid detection of monoamine neurotransmitters by carboxyl ionic organic crystal-functionalized paper spray mass spectrometry. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2025.138827] |
| 2. Chaoqing Xiang, Yuelan Chen, Baoping Qi, Hongjun Wu. (2025) Construction of COF/ultrathin carbon nitride heterojunctions for solar-driven high-efficiency photocatalytic H2O2 production. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2025.139160] |
