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Basic Description
| Synonyms | (3,3-diethoxyprop-1-ynyl)benzene | PHENYLPROPIOLALDEHYDE DIETHYL ACETAL | Propiolaldehyde, diethyl acetal | A833221 | J-800218 | AS-76444 | DTXSID80210362 | 1-(3,3-DIETHOXY-1-PROPYNYL)BENZENE | J-640217 | (3,3-Diethoxy-1-propynyl)benzene | (3,3-diethoxypr |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice 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
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Acetals Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504753926 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753926 |
| IUPAC Name | 3,3-diethoxyprop-1-ynylbenzene |
| INCHI | InChI=1S/C13H16O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4H2,1-2H3 |
| InChIKey | DTEGZYXCDQFSBZ-UHFFFAOYSA-N |
| Smiles | CCOC(C#CC1=CC=CC=C1)OCC |
| Isomeric SMILES | CCOC(C#CC1=CC=CC=C1)OCC |
| WGK Germany | 3 |
| PubChem CID | 64818 |
| Molecular Weight | 204.26 |
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 |
|---|---|---|---|
 H2307382 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| H2307385 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| H2307262 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| H2307273 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| F2511161 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| H2307299 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
| H2307387 |
Certificate of Analysis | Jul 20, 2023 | P351144 |
Chemical and Physical Properties
| Flash Point(°F) | >235.4 °F |
|---|---|
| Flash Point(°C) | >113 °C |
| Molecular Weight | 204.260 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115 Da |
| Monoisotopic Mass | 204.115 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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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Solution Calculators
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