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Substance Name: 2,4-Hexanediol, 2-(p-bromophenyl)-4-ethyl-
RN: 21133-89-1
InChIKey: LJESTSRMCGGACG-UHFFFAOYSA-N

Molecular Formula

  • C14-H21-Br-O2

Molecular Weight

  • 301.222
 
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Names and Synonyms

Synonyms

  • BRN 2115773
  • p-Bromophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3
  • RD 6013

Systematic Name

  • 2,4-Hexanediol, 2-(p-bromophenyl)-4-ethyl-

Registry Numbers

CAS Registry Number

  • 21133-89-1

System Generated Number

  • 0021133891

Structure Descriptors

InChI

1S/C14H21BrO2/c1-4-14(17,5-2)10-13(3,16)11-6-8-12(15)9-7-11/h6-9,16-17H,4-5,10H2,1-3H3

InChIKey

LJESTSRMCGGACG-UHFFFAOYSA-N

Smiles

c1([C@@](CC(CC)(CC)O)(C)O)ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1575mg/kg (1575mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chimica Therapeutica. Vol. 3, Pg. 296, 1968.