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Substance Name: 3,5,5-Trimethylhexanoyl chloride
RN: 36727-29-4
UNII: Z2J193VP5M
InChIKey: GEKPNPPFAYJZRD-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-Cl-O

Molecular Weight

  • 176.685
 
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Names and Synonyms

Name of Substance

  • 3,5,5-Trimethylhexanoyl chloride

Synonyms

  • 3,5,5-Trimethylhexanoyl chloride
  • EC 253-168-4
  • EINECS 253-168-4
  • Isononanoic acid chloride
  • Isononanoyl chloride
  • UNII-Z2J193VP5M

Systematic Names

  • 3,5,5-Trimethylhexanoyl chloride
  • Hexanoyl chloride, 3,5,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 36727-29-4

FDA UNII

  • Z2J193VP5M

System Generated Number

  • 0036727294

Structure Descriptors

InChI

1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

InChIKey

GEKPNPPFAYJZRD-UHFFFAOYSA-N

Smiles

C(C[C@@H](CC(C)(C)C)C)(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 240ppm/4H (240ppm) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0539748,