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Substance Name: N-(n-Octyl)-2-pyrrolidone
RN: 2687-94-7
InChIKey: WPPOGHDFAVQKLN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C12-H23-N-O

Molecular Weight

  • 197.3197
 
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Names and Synonyms

Name of Substance

  • N-(n-Octyl)-2-pyrrolidone

Synonyms

  • 1-Octyl-2-pyrrolidinone
  • 5-21-06-00330 (Beilstein Handbook Reference)
  • BRN 1526318
  • EC 403-700-8
  • N-(n-Octyl)-2-pyrrolidone
  • N-Octyl-2-pyrrolidone
  • N-Octylpyrrolidinone
  • N-Octylpyrrolidone

Systematic Names

  • 2-Pyrrolidinone, 1-octyl-
  • N-(N-Octyl)-2-pyrrolidinone

Superlist Name

  • 1-Octyl-2-pyrrolidone

Registry Numbers

CAS Registry Number

  • 2687-94-7

System Generated Number

  • 0002687947

Structure Descriptors

InChI

1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3

InChIKey

WPPOGHDFAVQKLN-UHFFFAOYSA-N

Smiles

CCCCCCCCN1CCCC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1290-1125,
rat LD50 oral 2050mg/kg (2050mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES
Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988.