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Substance Name: 2,6-Dimethyl-5-heptenal
RN: 106-72-9
UNII: Z331YX9EL9
InChIKey: YGFGZTXGYTUXBA-UHFFFAOYSA-N

Note

  • A fragrance ingredient.

Molecular Formula

  • C9-H16-O

Molecular Weight

  • 140.2244
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethyl-5-heptenal

Synonyms

  • 2,6-Dimethyl-2-hepten-7-al
  • 2,6-Dimethyl-5-heptanal
  • 2,6-Dimethyl-5-heptenal
  • 2,6-Dimethyl-5-heptenal (natural)
  • 2,6-Dimethylhept-5-en-1-al
  • 4-01-00-03508 (Beilstein Handbook Reference)
  • 5-Heptenal, 2,6-dimethyl-
  • AI3-33278
  • Bergamal
  • BRN 1745855
  • EINECS 203-427-2
  • FEMA No. 2389
  • Melonal
  • NSC 78450
  • UNII-Z331YX9EL9

Systematic Names

  • 2,6-Dimethylhept-5-enal
  • 5-Heptenal, 2,6-dimethyl-

Superlist Name

  • 2,6-Dimethyl-5-heptenal

Registry Numbers

CAS Registry Number

  • 106-72-9

FDA UNII

  • Z331YX9EL9

Other Registry Number

  • 77787-60-1

System Generated Number

  • 0000106729

Structure Descriptors

InChI

1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3

InChIKey

YGFGZTXGYTUXBA-UHFFFAOYSA-N

Smiles

CC(CCC=C(C)C)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13(Suppl), Pg. 793, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13(Suppl), Pg. 793, 1975.