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| CAS No.: | 61432-55-1 |
|---|---|
| Name: | DIMEPIPERATE |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H21 N O S |
| Molecular Weight: | 263.404 |
| Synonyms: | Dimepiperate;MUW 1193; MY 93; Yukamate |
| EINECS: | 262-784-2 |
| Density: | 1.109g/cm3 |
| Melting Point: | 39℃ |
| Boiling Point: | 380℃(e) |
| Flash Point: | 180.6oC |
| Solubility: | 20mgl-1 |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 22-51/53 |
| Safety: | Moderately toxic by ingestion, intraperitoneal, and skin contact routes. Low toxicity by inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 45.61000 |
| LogP: | 4.19870 |
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Chemistry
Molecule structure of S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) :
IUPAC Name: S-(2-phenylpropan-2-yl) piperidine-1-carbothioate
Molecular Weight: 263.39834 g/mol
Molecular Formula: C15H21NOS
Density: 1.109 g/cm3
Boiling Point: 375.1 °C at 760 mmHg
Flash Point: 180.6 °C
Index of Refraction: 1.563
Molar Refractivity: 77.15 cm3
Molar Volume: 237.3 cm3
Polarizability: 30.58×10-24 cm3
Surface Tension: 45 dyne/cm
Enthalpy of Vaporization: 62.26 kJ/mol
Vapour Pressure: 7.98E-06 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Exact Mass: 263.134385
MonoIsotopic Mass: 263.134385
Topological Polar Surface Area: 20.3
Heavy Atom Count: 18
Complexity: 278
Canonical SMILES: CC(C)(C1=CC=CC=C1)SC(=O)N2CCCCC2
InChI: InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,
1-2H3
InChIKey: BWUPSGJXXPATLU-UHFFFAOYSA-N
EINECS: 262-784-2
Storage Temp.: 0-6 °C
Uses
S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) is used as absorption within the conduction-type-selective herbicide rice.
Production
With toluene or piperidine as the solvent, by adding α, α-dimethyl benzyl mercaptan, and then at room temperature dropwise 40% sodium hydroxide solution, refluxing reaction, points to the water. Warming to 60 ~ 70 °C, dropping piperidine chloride, filtered precipitation of sodium chloride, temperature response for several hours, after washing, drying, de-dissolved to get S-1-Methyl-1-phenylethyl piperidine 1-carbothioate .
Toxicity Data With Reference
| 1. | orl-rat LD50:946 mg/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 2. | ihl-rat LC50:>1600 mg/m3/4H | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),109. | ||
| 3. | skn-rat LD50:>5 g/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 4. | ipr-rat LD50:676 mg/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 5. | orl-mus LD50:4519 mg/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 6. | ipr-mus LD50:1211 mg/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 7. | scu-mus LD50:>10 g/kg | JPIFAN Japan Pesticide Information.(45)(1984),18. | ||
| 8. | skn-rbt LD50:>2 g/kg | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),109. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal, and skin contact routes. Low toxicity by inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx.
Hazard Codes: 
Xn, 
N
Risk Statements: 22-51/53
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3082 9/PG 3
RTECS: TM5958000
Specification
S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) is also called Dimepiperate [ISO] ; Dimepiperate ; MUW 1193 ; MY 93 ; Yukamate ; 1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester . S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) looks like waxy solid. S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) is moderate toxic. It will produce toxic nitrogen oxide and sulfur oxide gases when buring. So the storage environment should be ventilate, low-temperature and dry. Keep S-1-Methyl-1-phenylethyl piperidine 1-carbothioate (CAS NO.61432-55-1) separate from raw materials of food.