Product Name

  • Name

    (2-PROPIONYL-5-((2-ETHYLTHIO)PROPYL)-CYCLOHEXANE-1,3-DIONE

  • EINECS
  • CAS No. 99422-01-2
  • Density 1.087g/cm3
  • Solubility
  • Melting Point
  • Formula C14H22 O3 S
  • Boiling Point 423.4°Cat760mmHg
  • Molecular Weight 270.42
  • Flash Point 180°C
  • Transport Information
  • Appearance
  • Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 99422-01-2 ((2-PROPIONYL-5-((2-ETHYLTHIO)PROPYL)-CYCLOHEXANE-1,3-DIONE)
  • Hazard Symbols
  • Synonyms (2-PROPIONYL-5-((2-ETHYLTHIO)PROPYL)-CYCLOHEXANE-1,3-DIONE
  • PSA 76.51000
  • LogP 2.66160

5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione Chemical Properties

Molecular structure of 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione (CAS NO.99422-01-2) is:

Product Name: 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione
CAS Registry Number: 99422-01-2
IUPAC Name: 5-(2-ethylsulfanylpropyl)-2-propanoylcyclohexane-1,3-dione
Molecular Weight: 270.38768 [g/mol]
Molecular Formula: C14H22O3S
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Surface Tension: 39.4 dyne/cm
Density: 1.087 g/cm3
Flash Point: 180 °C
Enthalpy of Vaporization: 67.77 kJ/mol
Boiling Point: 423.4 °C at 760 mmHg
Vapour Pressure: 2.24E-07 mmHg at 25°C
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]

5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 4300mg/m3/4H (4300mg/m3) SPINAL CORD: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 National Technical Information Service. Vol. OTS0540356,
rat LD50 oral 170mg/kg (170mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

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

5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione Consensus Reports

Reported in EPA TSCA Inventory.

5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of SOx.

5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione Specification

 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione , its cas register number is 99422-01-2. It also can be called RE-45550 ; 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- .

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