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- Name 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione
- EINECSN/A
- CAS No. 99422-01-2
- Density1.087g/cm3
- PSA76.51000
- LogP2.66160
- SolubilityN/A
- Melting PointN/A
- FormulaC14H22 O3 S
- Boiling Point423.4°Cat760mmHg
- Molecular Weight270.42
- Flash Point180°C
- Transport InformationN/A
- AppearanceN/A
- SafetyA poison by ingestion. When heated to decomposition it emits toxic vapors of SOx.
- Risk CodesN/A
- Molecular Structure
- Hazard SymbolsN/A
- SynonymsN/A
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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