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Substance Name: 3,7-Dimethyl-7-ethoxyoctanal
RN: 3613-33-0
UNII: H1WC04G31E
InChIKey: JACNKCPPJDIHTK-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-7-ethoxyoctanal

Synonyms

  • 3,7-Dimethyl-7-ethoxyoctanal
  • AI3-36184
  • BRN 4369535
  • Ethoxycitronellal
  • UNII-H1WC04G31E

Systematic Names

  • Octanal, 3,7-dimethyl-7-ethoxy-
  • Octanal, 7-ethoxy-3,7-dimethyl-
  • Octanol, 7-ethoxy-3,7-dimethyl-

Registry Numbers

CAS Registry Number

  • 3613-33-0

FDA UNII

  • H1WC04G31E

System Generated Number

  • 0003613330

Structure Descriptors

InChI

1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h10-11H,5-9H2,1-4H3

InChIKey

JACNKCPPJDIHTK-UHFFFAOYSA-N

Smiles

C(C[C@@H](CCCC(C)(C)OCC)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 313, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 313, 1988.