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Substance Name: 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
RN: 66346-01-8
UNII: E3F88HO81Q
InChIKey: ILQGIJDYSLHIOX-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C13-H17-Cl-O

Molecular Weight

  • 224.729
 
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Names and Synonyms

Name of Substance

  • 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone

Synonyms

  • 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
  • HWG 1608-Alkylketon
  • UNII-E3F88HO81Q

Systematic Name

  • 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-

Superlist Name

  • 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 66346-01-8

FDA UNII

  • E3F88HO81Q

System Generated Number

  • 0066346018

Structure Descriptors

InChI

1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3

InChIKey

ILQGIJDYSLHIOX-UHFFFAOYSA-N

Smiles

O=C(C(C)(C)C)CCc1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 1370mg/m3/4H (1370mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0540876,
rat LD50 oral 3145mg/kg (3145mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0540876,
rat LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0540876,