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Substance Name: 4-Pentenoic acid, 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, butyl ester
RN: 72727-71-0
InChIKey: QRQVLSMUEPAWSS-ZRDIBKRKSA-N

Molecular Formula

  • C19-H32-O3

Molecular Weight

  • 308.459
 
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Names and Synonyms

Synonyms

  • Butyl 5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-hydroxy-3-methyl-4-pentenoate
  • EINECS 276-804-2

Systematic Names

  • 4-Pentenoic acid, 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, butyl ester
  • Butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate

Registry Numbers

CAS Registry Number

  • 72727-71-0

System Generated Number

  • 0072727710

Structure Descriptors

InChI

1S/C19H32O3/c1-6-7-13-22-17(20)14-19(5,21)12-10-16-15(2)9-8-11-18(16,3)4/h9-10,12,16,21H,6-8,11,13-14H2,1-5H3/b12-10+

InChIKey

QRQVLSMUEPAWSS-ZRDIBKRKSA-N

Smiles

C(C[C@@](\C=C\[C@@H]1C(=CCCC1(C)C)C)(C)O)(=O)OCCCC