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Substance Name: 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-
RN: 99422-01-2
InChIKey: MMMFVTMCUXGRHD-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C14-H22-O3-S

Molecular Weight

  • 270.391
 
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Names and Synonyms

Synonyms

  • 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione
  • RE-45550

Systematic Name

  • 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 99422-01-2

System Generated Number

  • 0099422012

Structure Descriptors

InChI

1S/C14H22O3S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)18-5-2/h9-10,14H,4-8H2,1-3H3

InChIKey

MMMFVTMCUXGRHD-UHFFFAOYSA-N

Smiles

O=C1C(C(=O)CC(C1)C[C@@H](SCC)C)C(=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 4300mg/m3/4H (4300mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SPINAL CORD: OTHER DEGENERATIVE CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0540356,
rat LD50 oral 170mg/kg (170mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0186-0584,