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DIETHYL ETHYLHEXYL MALONATE structure

DIETHYL ETHYLHEXYL MALONATE

 
1. Names and Identifiers
1.1 Name
DIETHYL ETHYLHEXYL MALONATE
1.2 Synonyms
2-ethvlhexvlamine; 2-Ethylhexanamine; 2-ethyl-hexylamin; 2-Ethyl-hexyl-malonsaeure-diethylester; 3-Octylamine; Armeen L8D; DIETHYL ETHYLHEXYL MALONATE; Ethylhexylamine; ISOOCTYLAME; ISOOCTYLAMINE; mono-2-ethylhexylamine; Propanedioic acid, 2-(2-ethylhexyl)-, 1,3-diethyl ester;
1.3 CAS No.
24306-19-2
1.4 CID
240549
1.5 Molecular Formula
C15H28O4
1.6 Inchi
InChI=1S/C15H28O4/c1-5-9-10-11-12-15(6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3
1.7 InChkey
NESROWJMOIQZIL-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCC(CC)(C(=O)OCC)C(=O)OCC
1.9 Isomers Smiles
CCCCCCC(CC)(C(=O)OCC)C(=O)OCC
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. Synthesis Route
24306-19-2Total: 2 Synthesis Route
 
18908-66-2
18908-66-2 109 Suppliers
 
105-53-3
105-53-3 369 Suppliers
 
24306-19-2
24306-19-2 1 Suppliers
 
18908-66-2
18908-66-2 109 Suppliers
 
 
24306-19-2
24306-19-2 1 Suppliers
4. Precursor and Product
precursor:
product:
5. Computed Properties
  • Molecular Weight:272.38g/mol
  • Molecular Formula:C15H28O4
  • Compound Is Canonicalized:True
  • Exact Mass:4.7
  • XLogP3-AA:272.19875937
  • Monoisotopic Mass:272.19875937
  • Complexity:255
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count::19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADgCggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABYIAAACAAAFIAAAAAGIyOCPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 1 Suppliers View more
Tel: Update Time:2019/11/25
7. Realated Product Infomation
 
 
 
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