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Substance Name: Grandlure
RN: 11104-05-5
UNII: 9J858QIG89
InChIKey: KNLVVBOPLNECGY-PMHSJTGRSA-N

Note

  • Four components of boll weevil pheromone; cis-2-iso-propenyl-1-methylcyclobutaneethanol; 3,3-dimethyl-cyclohexaneethanol; 3,3-dimethyl-cyclohexaneacetaldehyde (Z) & (E).

Molecular Formula

  • C10-H18-O.C10-H18-O.C10-H16-O

Molecular Weight

  • 460.7378
 

Classification Code

  • Insecticide
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Names and Synonyms

Name of Substance

  • Grandlure

Synonyms

  • Grandlure
  • UNII-9J858QIG89

Systematic Names

  • Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (2E)-, mixt. with (2Z)-2-(3,3-dimethylcyclohexylidene)ethanol and (1R,2S)-1-methyl-2-(1-methylethenyl)cyclobutaneethanol
  • Acetaldehyde, (3,3-dimethylcyclohexylidene)-, mixt. with (Z)-2-(3,3-dimethylcyclohexylidene)ethanol and (1R-cis)-1-methyl-2-(1-methylethenyl)cyclobutaneethanol

Registry Numbers

CAS Registry Number

  • 11104-05-5

FDA UNII

  • 9J858QIG89

System Generated Number

  • 0011104055

Molecular Formulas

Molecular Formula

  • C10-H18-O.C10-H18-O.C10-H16-O

Molecular Formula Fragments

  • C10-H16-O
  • C10-H18-O
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H18O.C10H16O/c1-8(2)9-4-5-10(9,3)6-7-11;2*1-10(2)6-3-4-9(8-10)5-7-11/h9,11H,1,4-7H2,2-3H3;5,11H,3-4,6-8H2,1-2H3;5,7H,3-4,6,8H2,1-2H3/b;9-5-;9-5+/t9-,10+;;/m0../s1

InChIKey

KNLVVBOPLNECGY-PMHSJTGRSA-N

Smiles

CC(=C)[C@@H]1CC[C@]1(C)CCO.CC1(CCC/C(=C/CO)/C1)C.CC1(CCC/C(=C\C=O)/C1)C