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 organic carbothioate compound featuring a piperidine ring structure with moderate toxicity properties. This specialized chemical compound belongs to the carbothioate family, characterized by its distinctive molecular structure combining a piperidine ring with a phenylpropyl thioester group. With a molecular formula of C15H21NOS and molecular weight of 263.4 g/mol, this substance exhibits unique chemical properties that make it valuable for specific industrial applications. The compound is classified under EC number 262-784-2 and falls within ADR transport class 9, indicating it requires careful handling protocols during shipping and storage. From a safety perspective, S-(2-phenylpropan-2-yl) piperidine-1-carbothioate carries acute toxicity class 4 designation and chronic aquatic toxicity class 2, necessitating appropriate protective measures during handling. The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, with a "Warning" signal word reflecting its moderate risk profile. These safety characteristics distinguish it from related compounds such as diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate, which has different toxicity classifications. Industrial applications for this carbothioate compound typically include use as a chemical intermediate in pharmaceutical synthesis, as a specialized reagent in organic chemistry processes, and in the development of advanced materials where thioester functionality is required. Its unique structural properties make it particularly valuable in applications where both the piperidine ring system and carbothioate group contribute to desired chemical reactivity. OYSI maintains reliable supply chains for S-(2-phenylpropan-2-yl) piperidine-1-carbothioate, ensuring consistent availability for European technical markets with full regulatory compliance and safety documentation.

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 structure linked to a phenylpropan group through a carbothioate functional group. It is classified as a hazardous substance with acute toxicity properties and potential environmental impact on aquatic organisms.

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

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is a chemical compound with molecular formula C15H21NOS and molecular weight 263.4 g/mol. The compound contains nitrogen, oxygen, and sulfur heteroatoms within its structure, featuring both aromatic and aliphatic components. Specific physical properties such as melting point, boiling point, and solubility data would require analytical testing or literature consultation for precise determination.

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

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is typically used in specialized chemical applications and research. The compound's piperidine-carbothioate structure suggests potential applications in pharmaceutical research, organic synthesis, or as a chemical intermediate. Due to its specific molecular structure, it may serve as a building block in the development of bioactive compounds or specialized materials, though specific industrial applications depend on the end user's requirements.

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. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, and prevent inhalation. The GHS07 pictogram indicates health hazards, so follow proper laboratory safety protocols and ensure personnel are trained in chemical handling procedures.

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 incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Due to its environmental hazard classification (Aquatic Chronic 2), ensure storage areas have appropriate containment measures to prevent environmental release. Store away from heat sources, direct sunlight, and moisture to maintain chemical stability and prevent degradation.

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 remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its Acute Tox. 4 classification, seek medical advice if symptoms develop and always consult the safety data sheet for complete emergency procedures.

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

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate must be disposed of according to local, national, and European waste regulations. Due to its hazardous properties and environmental classification (Aquatic Chronic 2), it cannot be disposed of in regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure waste containers are properly labeled and documented according to regulatory requirements. Never discharge into water systems or soil.

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 transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements, and drivers should carry appropriate transport documentation. Consult current ADR regulations for complete transport compliance requirements.

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

S-(2-phenylpropan-2-yl) piperidine-1-carbothioate is subject to European chemical regulations including REACH and CLP. It is not currently identified as a Substance of Very High Concern (SVHC). The substance must be classified and labeled according to CLP regulation with Warning signal word and GHS07/GHS09 pictograms. Companies handling this substance must comply with REACH registration requirements if applicable volumes are exceeded. Always verify current regulatory status before use.

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 chemical products. OYSI provides professional chemical supply services across Europe, ensuring proper packaging, documentation, and regulatory compliance for hazardous substances. As a professional chemical distributor, OYSI can provide technical support, safety data sheets, and ensure appropriate handling and transport of this specialized chemical compound for research and industrial applications.

Data Sources

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