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Substance Name: 2-Ethylhexanoyl chloride
RN: 760-67-8
UNII: 81065MP285
InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N

Molecular Formula

  • C8-H15-Cl-O

Molecular Weight

  • 162.658
 
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Names and Synonyms

Name of Substance

  • 2-Ethylhexanoyl chloride

Synonyms

  • 2-Ethylcaproyl chloride
  • 2-Ethylhexanoic acid chloride
  • 2-Ethylhexanoyl chloride
  • EC 212-081-1
  • EINECS 212-081-1
  • NSC 87892
  • UNII-81065MP285

Systematic Names

  • 2-Ethylhexanoyl chloride
  • Hexanoyl chloride, 2-ethyl-

Superlist Name

  • Hexanoyl chloride, 2-ethyl-

Registry Numbers

CAS Registry Number

  • 760-67-8

FDA UNII

  • 81065MP285

System Generated Number

  • 0000760678

Structure Descriptors

InChI

1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3

InChIKey

WFSGQBNCVASPMW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1500mg/kg (1500mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0387-0656,
mammal (species unspecified) LD50 skin > 2gm/kg (2000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0387-0656,
rat LC50 inhalation 1260mg/m3 (1260mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0387-0656,