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Substance Name: 3,5,5-Trimethylhexanal
RN: 5435-64-3
UNII: U62H30BXPJ
InChIKey: WTPYRCJDOZVZON-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H18-O

Molecular Weight

  • 142.2402
 
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Names and Synonyms

Name of Substance

  • 3,5,5-Trimethylhexanal

Synonyms

  • 3,5,5-Trimethylcapronaldehyde
  • 3,5,5-Trimethylhexanal
  • 4-01-00-03362 (Beilstein Handbook Reference)
  • AI3-22274
  • BRN 1740882
  • EC 226-603-0
  • EINECS 226-603-0
  • FEMA No. 3524
  • Hexanal, 3,5,5-trimethl-
  • Hexanal, 3,5,5-trimethyl-
  • HSDB 7626
  • Isononylaldehyde
  • NSC 21482
  • tert-Butylisopentanal
  • UNII-U62H30BXPJ

Systematic Names

  • 3,5,5-Trimethylhexanal
  • Hexanal, 3,5,5-trimethyl-

Superlist Name

  • 3,5,5-Trimethylhexanal

Registry Numbers

CAS Registry Number

  • 5435-64-3

FDA UNII

  • U62H30BXPJ

System Generated Number

  • 0005435643

Structure Descriptors

InChI

1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

InChIKey

WTPYRCJDOZVZON-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2500mg/kg (2500mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 841, 1982.
rat LD50 oral 3240mg/kg (3240mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 841, 1982.