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Substance Name: 2-Pentanone, 3-chloro-5-hydroxy-, acetate
RN: 13051-49-5
InChIKey: LQKQGYIKTRJVJF-UHFFFAOYSA-N

Molecular Formula

  • C7-H11-Cl-O3

Molecular Weight

  • 178.614
 
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Names and Synonyms

Synonyms

  • 2-Pentanone, 5-(acetyloxy)-3-chloro- (10CI)
  • 3-Chloro-5-hydroxy-2-pentanone acetate
  • 4-02-00-00299 (Beilstein Handbook Reference)
  • 5-(Acetyloxy)-3-chloro-2-pentanone
  • AI3-34640
  • BRN 0971207
  • EC 235-930-8
  • EINECS 235-930-8

Systematic Names

  • 2-Chloro-3-oxopentyl acetate
  • 2-Pentanone, 3-chloro-5-hydroxy-, acetate

Registry Numbers

CAS Registry Number

  • 13051-49-5

System Generated Number

  • 0013051495

Structure Descriptors

InChI

1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3

InChIKey

LQKQGYIKTRJVJF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2049mg/kg (2049mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 110, 1973.