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Basic Description
| Synonyms | Triethyl orthopropionate | 1,1,1-Triethoxypropane | 115-80-0 | Propane, 1,1,1-triethoxy- | Ethyl orthopropionate | Orthopropionic acid, triethyl ester | Triethyl o-propionate | Orthopropionic acid ethyl ester | 9UVM48BAS9 | NSC-5604 | MFCD00009226 | triethoxypropane | NSC 5604 | E |
|---|---|
| Specifications & Purity | ≥94% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Ortho esters
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ortho esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho esters |
| Alternative Parents | Carboxylic acid orthoesters Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H). |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504754111 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754111 |
| IUPAC Name | 1,1,1-triethoxypropane |
| INCHI | InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3 |
| InChIKey | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
| Smiles | CCC(OCC)(OCC)OCC |
| Isomeric SMILES | CCC(OCC)(OCC)OCC |
| WGK Germany | 1 |
| PubChem CID | 66995 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 176.25 |
| Beilstein | 906798 |
| Reaxy-Rn | 906798 |
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 |
|---|---|---|---|
 I2312702 |
Certificate of Analysis | Sep 20, 2023 | T491970 |
| I2312712 |
Certificate of Analysis | Sep 20, 2023 | T491970 |
| I2312749 |
Certificate of Analysis | Sep 20, 2023 | T491970 |
| L2210219 |
Certificate of Analysis | Dec 17, 2022 | T491970 |
| L2210334 |
Certificate of Analysis | Dec 17, 2022 | T491970 |
Chemical and Physical Properties
| Solubility | Hydrolyzes slowly in water. Soluble in alcohol, chloroform, ethyl acetate and ether |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | 1.402 |
| Flash Point(°F) | 140 °F |
| Flash Point(°C) | 60 °C |
| Boil Point(°C) | 155-160°C |
| Molecular Weight | 176.250 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 176.141 Da |
| Monoisotopic Mass | 176.141 Da |
| Topological Polar Surface Area | 27.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 86.900 |
| 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 |
Solution Calculators
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