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Substance Name: Butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
RN: 54410-94-5
InChIKey: TYOOXFQTUDXXCL-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.2502
 
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Names and Synonyms

Synonym

  • EINECS 259-156-5

Systematic Names

  • 3-Methylbut-3-enyl isovalerate
  • Butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
  • Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester

Registry Numbers

CAS Registry Number

  • 54410-94-5

System Generated Number

  • 0054410945

Structure Descriptors

InChI

InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3

InChIKey

TYOOXFQTUDXXCL-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)OCCC(=C)C