Ethyl N-(2-methylpropoxycarbothioyl)carbamate

C8H15NO3S

ethyl N-(2-methylpropoxycarbothioyl)carbamate

CAS103122-66-3
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
103122-66-3
EC Number
434-350-4
UN Number
3272
Index Number
006-094-00-X
PubChem CID
3034440

Physical-chemical properties

Molecular Formula
C8H15NO3S
Molar Mass
205.28 g/mol
IUPAC Name
ethyl N-(2-methylpropoxycarbothioyl)carbamate

Chemical Identifiers

InChI
InChI=1S/C8H15NO3S/c1-4-11-7(10)9-8(13)12-5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,13)
InChI Key
XNMRLZYOSGDPRB-UHFFFAOYSA-N

Overview

Ethyl N-(2-methylpropoxycarbothioyl)carbamate (CAS 103122-66-3) is a specialized carbamate compound with thiocarbamate functional groups used in industrial chemical applications. This organic compound, with the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol, represents an important class of carbamate derivatives containing sulfur functionality. The EC number 434-350-4 identifies this substance within European chemical regulations, where it is classified under multiple hazard categories requiring careful handling protocols. The compound exhibits significant safety considerations due to its classification profile, including flammable liquid properties (Class 3), carcinogenic potential (Category 1B), mutagenic effects (Category 1B), and acute toxicity concerns. These characteristics necessitate stringent workplace safety measures, including appropriate ventilation systems, personal protective equipment, and specialized storage conditions. The presence of GHS pictograms GHS02, GHS08, GHS07, and GHS09 on safety documentation reflects its flammable, health hazard, harmful, and environmental risks respectively. Industrial applications of ethyl N-(2-methylpropoxycarbothioyl)carbamate typically include use as an intermediate in pharmaceutical synthesis, where its carbamate structure provides valuable reactivity for drug development processes. Additionally, it serves as a specialized reagent in agrochemical manufacturing and as a building block in fine chemical production. The compound's unique thiocarbamate functionality distinguishes it from simpler hydrocarbons like propylbenzene or 3-ethyl-3-methylpentane, offering specific chemical reactivity patterns valuable in targeted synthesis applications. The ADR Class 3 classification requires specialized transportation arrangements, ensuring compliance with dangerous goods regulations during logistics operations. OYSI maintains availability of this technical-grade chemical compound for qualified industrial customers requiring specialized carbamate chemistry solutions.

Safety & Classification

Danger
Classification:

Flam. Liq. 3; Carc. 1B; Muta. 1B; Acute Tox. 4 *; STOT RE 2 *; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H350

May cause cancer.

H340

May cause genetic defects.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

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 Number3272
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameO-Isobutyl-N-ethoxy-carbonylthiocarbamat
Marine PollutantNo

Frequently Asked Questions

What is ethyl N-(2-methylpropoxycarbothioyl)carbamate?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is an organic chemical compound with the molecular formula C8H15NO3S and CAS number 103122-66-3. This carbamate derivative has a molecular weight of 205.28 g/mol and contains both carbamate and thiocarbonyl functional groups. It is classified as a hazardous substance with multiple health and environmental risks, including carcinogenic and mutagenic properties, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of ethyl N-(2-methylpropoxycarbothioyl)carbamate?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is a flammable liquid classified under Flam. Liq. 3, indicating moderate flammability with a flash point between 23°C and 60°C. The compound has a molecular weight of 205.28 g/mol and contains sulfur, nitrogen, and oxygen heteroatoms in its structure. As a liquid at room temperature, it requires proper ventilation and fire safety precautions during handling due to its flammable nature.

What is ethyl N-(2-methylpropoxycarbothioyl)carbamate used for?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is primarily used in specialized chemical synthesis and research applications. As a carbamate derivative with thiocarbonyl functionality, it serves as an intermediate in organic synthesis, particularly in pharmaceutical research and agrochemical development. Its specific structural features make it valuable for creating more complex molecules in laboratory and industrial settings, though its hazardous properties limit its use to controlled professional environments.

How to handle ethyl N-(2-methylpropoxycarbothioyl)carbamate safely?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate requires strict safety protocols due to its carcinogenic, mutagenic, and sensitizing properties. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Fire safety measures are essential due to its flammable nature. Skin contact must be avoided as the substance can cause sensitization reactions.

How to store ethyl N-(2-methylpropoxycarbothioyl)carbamate correctly?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames due to its flammable properties. Storage areas should be equipped with appropriate fire suppression systems and secondary containment. The substance should be kept in tightly sealed, compatible containers and segregated from incompatible materials. Access should be restricted to trained personnel only, with proper inventory tracking due to its hazardous classification.

What to do in case of contact with ethyl N-(2-methylpropoxycarbothioyl)carbamate?

Immediate action is required for any contact with ethyl N-(2-methylpropoxycarbothioyl)carbamate due to its toxic properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical help. Always consult safety data sheets and contact emergency services when necessary.

How to dispose of ethyl N-(2-methylpropoxycarbothioyl)carbamate appropriately?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate must be disposed of as hazardous waste through authorized waste management companies specializing in chemical disposal. The substance cannot be disposed of in regular waste streams due to its carcinogenic, mutagenic, and environmental hazard properties. Disposal must comply with local and European waste regulations, including proper classification, labeling, and documentation. Incineration at high temperatures in specialized facilities is typically the preferred disposal method for such compounds.

How to transport ethyl N-(2-methylpropoxycarbothioyl)carbamate?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is classified under ADR Class 3, Packing Group III for transport as a flammable liquid. Transportation requires appropriate packaging, labeling with GHS pictogrammes (GHS02, GHS08, GHS07, GHS09), and proper documentation including safety data sheets. Vehicles must comply with ADR regulations for Class 3 substances, including appropriate equipment and driver training. The shipment must be secured against movement and protected from heat sources during transport.

Is ethyl N-(2-methylpropoxycarbothioyl)carbamate subject to specific regulations?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is subject to extensive European chemical regulations including REACH registration requirements and CLP classification as a Category 1B carcinogen and mutagen. Its classification under multiple hazard classes (Carc. 1B, Muta. 1B, STOT RE 2) triggers strict handling, labeling, and notification requirements. While not currently listed as SVHC, its hazardous properties may subject it to authorization procedures and workplace exposure limits under occupational health regulations.

Where to buy ethyl N-(2-methylpropoxycarbothioyl)carbamate in Europe?

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is available through OYSI, a specialized European distributor of technical chemicals. As a hazardous substance with carcinogenic and mutagenic properties, procurement requires proper documentation, including end-use declarations and compliance with regulatory requirements. OYSI provides technical support and ensures proper handling protocols for safe delivery. Contact OYSI directly for availability, regulatory documentation, and technical specifications to ensure compliance with European chemical regulations.

Data Sources

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