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Substance Name: 3-Pentenoic acid, 2-methyl-, hexyl ester
RN: 85508-08-3
InChIKey: BSKRYZBCMPUFRS-WEVVVXLNSA-N

Classification Code

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

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.3038
 
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Names and Synonyms

Synonyms

  • EINECS 287-432-5
  • FEMA No. 3693
  • Hexyl 2-methyl-3-pentenoate

Systematic Names

  • 3-Pentenoic acid, 2-methyl-, hexyl ester
  • Hexyl 2-methylpent-3-en-1-oate

Registry Numbers

CAS Registry Number

  • 85508-08-3

System Generated Number

  • 0085508083

Structure Descriptors

InChI

1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5+

InChIKey

BSKRYZBCMPUFRS-WEVVVXLNSA-N

Smiles

CCCCCCOC(=O)C(C)/C=C/C