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S-1-Methyl-1-phenylethyl piperidine 1-carbothioate

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Name

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate

EINECS 262-784-2
CAS No. 61432-55-1 Density 1.109g/cm3
PSA 45.61000 LogP 4.19870
Solubility 20mgl-1 Melting Point 39℃
Formula C15H21 N O S Boiling Point 380℃(e)
Molecular Weight 263.404 Flash Point 180.6oC
Transport Information N/A Appearance N/A
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. Risk Codes 22-51/53
Molecular Structure Molecular Structure of 61432-55-1 (DIMEPIPERATE) Hazard Symbols Xn,N
Synonyms

Dimepiperate;MUW 1193; MY 93; Yukamate

Article Data 7

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate Chemical Properties

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

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate 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.

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate 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 .

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.

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate 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: HarmfulXn, DangerousN
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

S-1-Methyl-1-phenylethyl piperidine 1-carbothioate 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.

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