S-(2-phenylpropan-2-yl) piperidine-1-carbothioate

C15H21NOS

CAS61432-55-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
61432-55-1
EC Number
262-784-2
UN Number
3077
Index Number
613-110-00-4
PubChem CID
91679

Physical-chemical properties

Molecular Formula
C15H21NOS
Molar Mass
263.40 g/mol
IUPAC Name
S-(2-phenylpropan-2-yl) piperidine-1-carbothioate

Chemical Identifiers

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
InChI Key
BWUPSGJXXPATLU-UHFFFAOYSA-N

Overview

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate (CAS 61432-55-1) is an organosulfur compound with carbothioate functionality and moderate acute toxicity properties. This specialized chemical compound belongs to the carbothioate family, characterized by its unique molecular structure combining a piperidine ring system with a phenylpropyl thioester group. With the molecular formula C15H21NOS and a molecular weight of 263.4 g/mol, this substance exhibits distinctive chemical properties that make it valuable for specific industrial applications. The compound's EC number 262-784-2 reflects its registration within European chemical databases, ensuring proper regulatory compliance for commercial use. From a safety perspective, S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is classified under Acute Toxicity Category 4 and Aquatic Chronic Toxicity Category 2, requiring careful handling protocols. The associated GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. The "Warning" signal word emphasizes the need for appropriate safety measures during handling and storage. Industrial applications typically involve its use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. The compound's unique structural features make it particularly useful in applications requiring specific reactivity patterns, similar to how compounds like diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate serve specialized roles in chemical synthesis processes. Professional users benefit from the compound's well-defined chemical properties and regulatory status, enabling predictable performance in controlled industrial environments. OYSI maintains reliable supply chains for this technical chemical, ensuring consistent availability for European industrial customers requiring this specialized carbothioate compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H411

Toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameDimepiperat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is S-(2-phenylpropan-2-yl) piperidine-1-carbothioate?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is an organic chemical compound with the molecular formula C15H21NOS and CAS number 61432-55-1. This substance has a molecular weight of 263.4 g/mol and contains a piperidine ring linked to a carbothioate group with a phenylpropyl substituent. It is classified as a hazardous substance with acute toxicity and chronic aquatic toxicity properties, requiring appropriate safety measures during handling and use.

What are the physicochemical properties of S-(2-phenylpropan-2-yl) piperidine-1-carbothioate?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is a complex organic molecule with a molecular weight of 263.4 g/mol and molecular formula C15H21NOS. The compound contains nitrogen, oxygen, and sulfur heteroatoms within its structure, along with aromatic and aliphatic components. Specific physical properties such as melting point, boiling point, and solubility data would require detailed analytical characterization for precise determination.

What is S-(2-phenylpropan-2-yl) piperidine-1-carbothioate used for?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its piperidine-carbothioate structure makes it valuable for developing bioactive compounds and pharmaceutical intermediates. The compound may also serve specialized applications in research and development within the chemical industry, particularly in projects requiring its specific molecular framework and functional groups.

How to handle S-(2-phenylpropan-2-yl) piperidine-1-carbothioate safely?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate requires careful handling due to its Acute Tox. 4 classification. Wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Ensure adequate ventilation and avoid inhalation or skin contact. Work in a well-ventilated area or fume hood, and have emergency procedures readily available. Follow all safety data sheet recommendations and maintain proper hygiene practices during handling.

How to store S-(2-phenylpropan-2-yl) piperidine-1-carbothioate correctly?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled according to GHS requirements. Store separately from strong oxidizing agents and acids due to the presence of sulfur and nitrogen functional groups. Maintain appropriate temperature conditions and ensure storage areas comply with local chemical storage regulations and fire safety requirements.

What to do in case of contact with S-(2-phenylpropan-2-yl) piperidine-1-carbothioate?

In case of skin contact with S-(2-phenylpropan-2-yl) piperidine-1-carbothioate, immediately wash the affected area with plenty of soap and water for at least 15 minutes. If eye contact occurs, rinse thoroughly with clean water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of S-(2-phenylpropan-2-yl) piperidine-1-carbothioate properly?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate must be disposed of as hazardous chemical waste through licensed waste management companies. Due to its Aquatic Chronic 2 classification, prevent environmental release and follow local environmental regulations. Do not discharge into drains, waterways, or soil. Collect waste in appropriate containers, properly label according to waste classification, and arrange disposal through authorized hazardous waste contractors following European waste management directives.

How to transport S-(2-phenylpropan-2-yl) piperidine-1-carbothioate?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport documentation must include proper shipping names and hazard classifications. Drivers must have appropriate ADR training for Class 9 substances and follow routing restrictions where applicable.

Is S-(2-phenylpropan-2-yl) piperidine-1-carbothioate subject to specific regulations?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is subject to standard European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently identified as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets compliant with REACH Annex II. Users must follow CLP labeling requirements showing GHS07 and GHS09 pictograms with 'Warning' signal word, and comply with occupational exposure and environmental protection measures.

Where to buy S-(2-phenylpropan-2-yl) piperidine-1-carbothioate in Europe?

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is available through OYSI, a specialized European distributor of fine chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance including proper CLP labeling, safety data sheets, and transport documentation. As a European chemical distributor, OYSI ensures REACH compliance and can supply the material with appropriate quality documentation for research and industrial applications across European markets.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.