POTASSIUM 2-(1'-ETHOXY)ETHOXYPROPANOATE
Relevant Data
Food Additives Approved in the United States
Flavouring Substances Approved by European Union:
General Information
| Synonyms: | 1-ETHOXYETHYL ETHER OF POTASSIUM LACTATE, POTASSIUM O-(1'-ETHOXY)ETHOXYPROPANOATE |
| Chemical Names: | POTASSIUM 2-(1'-ETHOXY)ETHOXYPROPANOATE |
| CAS number: | 100743-68-8 |
| JECFA number: | 933 |
| FEMA number: | 3752 |
| Functional Class: |
Flavouring Agent FLAVOURING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2001 |
| ADI: | No safety concern at current levels of intake when used as a flavouring agent |
| Report: | TRS 909-JECFA 57/98 |
| Tox Monograph: | FAS 48-JECFA 57/333 |
| Specification: | COMPENDIUM ADDENDUM 9/FNP 52 Add.9/152 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23670519 |
| IUPAC Name | potassium;2-(2-ethoxyethoxy)propanoate |
| InChI | InChI=1S/C7H14O4.K/c1-3-10-4-5-11-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1 |
| InChI Key | BCRJMPAOSQNFJU-UHFFFAOYSA-M |
| Canonical SMILES | CCOCCOC(C)C(=O)[O-].[K+] |
| Molecular Formula | C7H13KO4 |
| Wikipedia | potassium 2-(1'-ethoxy)ethoxypropionate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 200.275 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Complexity | 118.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g O A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C B S g g A I C C A A A B A A I A A C Q C A I A A A A A A A A A A A F A A A A B A A A A A A Q C A A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 58.6 |
| Monoisotopic Mass | 200.045 |
| Exact Mass | 200.045 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic zwitterion - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. |
From ClassyFire