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Ethyl butylacetylaminopropionate: Difference between revisions

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Revision as of 12:17, 23 August 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'StdInChI', 'StdInChIKey').← Previous edit Revision as of 12:27, 23 August 2011 edit undoCheMoBot (talk | contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'ChemSpiderID_Ref', 'DrugBank_Ref', 'UNII_Ref', 'ChEMBL_Ref', 'ChEBI_Ref', 'KEGG_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEBI_Ref') per [[Misplaced Pages:WikiProject Chemicals/ChemNext edit →
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{{Chembox {{Chembox
| verifiedrevid = 406153746 | verifiedrevid = 446307449
| ImageFile = Chemical Structure of IR3535.png | ImageFile = Chemical Structure of IR3535.png
| ImageSize = 260px | ImageSize = 260px
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| CASNo = 52304-36-6 | CASNo = 52304-36-6
| PubChem = 104150 | PubChem = 104150
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 94028 | ChemSpiderID = 94028
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3 | StdInChI = 1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = VZRKEAFHFMSHCD-UHFFFAOYSA-N | StdInChIKey = VZRKEAFHFMSHCD-UHFFFAOYSA-N
| SMILES = CCCCN(CCC(=O)OCC)C(=O)C}} | SMILES = CCCCN(CCC(=O)OCC)C(=O)C}}

Revision as of 12:27, 23 August 2011

Ethyl butylacetylaminopropionate
IR3535
Names
IUPAC name ethyl 3-propanoate
Other names 3--aminopropionic acid, ethyl ester
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.052.560 Edit this at Wikidata
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3Key: VZRKEAFHFMSHCD-UHFFFAOYSA-N
SMILES
  • CCCCN(CCC(=O)OCC)C(=O)C
Properties
Chemical formula C11H21NO3
Molar mass 215.28934
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Biopesticide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

IR3535 is an insect repellent found in Avon Products Skin So Soft line of topical insect repellents. Merck KGaA is the registered trademark owner of IR3535 in the United States. IR3535 is a synthetic insect repellent that is additionally classified as biopesticide by the EPA. It was used in Europe 20 years prior to its registration with the EPA as an active ingredient in February 1999.

Chemistry

IR3535 and beta-alanine

The structure of IR3535 is based on alanine and beta-alanine. and the EPA has classified IR3535 as a biochemical substance based on the fact that it is "functionally identical" to beta alanine: both repel insects and the end groups of IR3535 are not likely to contribute to toxicity.

See also

References

  1. USPTO: Trademark registration record for IR3535
  2. EPA: Regulating Biopesticides
  3. EPA: Fact sheet on IR3535
  4. Medscape: Insect Repellents
  5. EPA: Similarity to beta-alanine
  6. EPA: IR3535 technical document

External links

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