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 significant industrial applications and notable safety considerations. This organic compound, with the molecular formula C8H15NO3S and molecular weight of 205.28 g/mol, belongs to the carbamate family of chemicals and features a distinctive carbothioyl functional group. The substance is classified under EC number 434-350-4 and presents multiple hazard classifications including carcinogenic (Category 1B) and mutagenic (Category 1B) properties, requiring careful handling protocols in industrial environments. The compound exhibits flammable liquid characteristics (Category 3) with an ADR classification of Class 3, necessitating appropriate storage and transportation measures. Its hazard profile includes acute toxicity, skin sensitization potential, and specific target organ toxicity upon repeated exposure. The GHS pictograms GHS02, GHS08, GHS07, and GHS09 indicate the range of safety precautions required when working with this material. In industrial applications, ethyl N-(2-methylpropoxycarbothioyl)carbamate serves primarily as an intermediate in pharmaceutical synthesis and as a specialized reagent in organic chemistry processes. The compound finds use in agrochemical manufacturing where its carbamate structure provides valuable functionality. Unlike simpler hydrocarbons such as propylbenzene or 3-ethyl-3-methylpentane, this compound offers unique reactivity through its sulfur-containing carbothioyl group. Due to its hazardous classification, this substance requires specialized handling expertise and appropriate safety infrastructure. Professional users must implement comprehensive risk management protocols including proper ventilation, personal protective equipment, and waste disposal procedures. OYSI maintains availability of ethyl N-(2-methylpropoxycarbothioyl)carbamate for qualified industrial customers with appropriate handling capabilities and regulatory compliance.

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 a synthetic organic 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 safety concerns including carcinogenic and mutagenic properties, requiring careful handling in professional environments.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is a flammable liquid at room temperature, as indicated by its Flam. Liq. 3 classification. The compound has a molecular weight of 205.28 g/mol and molecular formula C8H15NO3S. Its structure contains carbamate and thiocarbonyl groups, which influence its chemical behavior. Specific physical properties such as boiling point, density, and solubility require consultation of detailed technical data sheets.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate serves as a specialized chemical intermediate in organic synthesis and research applications. Its carbamate structure makes it valuable in pharmaceutical research and agrochemical development. The compound may be used in laboratory settings for synthetic chemistry projects requiring specific functional group transformations. Due to its hazardous properties, its use is restricted to professional and industrial applications with appropriate safety measures.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate requires strict safety protocols due to its carcinogenic, mutagenic, and skin sensitizing properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods to prevent inhalation exposure. Avoid skin contact and ensure immediate washing if contact occurs. Fire prevention measures are necessary due to its flammable nature.

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 and ignition points due to its flammable properties. Use tightly sealed containers made of compatible materials to prevent contamination and evaporation. Storage areas should be equipped with appropriate fire suppression systems and restricted access due to the compound's carcinogenic classification. Avoid storage near incompatible chemicals and ensure proper labeling.

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

Skin contact with ethyl N-(2-methylpropoxycarbothioyl)carbamate requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately and seek medical assistance if breathing difficulties occur. Due to its carcinogenic properties, any significant exposure should prompt immediate medical consultation.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate must be disposed of through licensed hazardous waste management companies due to its carcinogenic and mutagenic properties. The compound cannot be disposed of in regular waste streams or sewage systems due to its environmental toxicity classification. Disposal must comply with local and European waste regulations, typically requiring incineration at high temperatures in specialized facilities. Maintain proper documentation of disposal activities for regulatory compliance.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is classified under ADR Class 3 (flammable liquids), Packing Group III for transport purposes. Transportation requires appropriate UN-approved packaging and proper hazardous goods documentation. Vehicles must display appropriate placards and drivers need ADR certification for dangerous goods transport. The shipment must include safety data sheets and emergency response information. Special handling procedures apply due to the compound's multiple hazard classifications including carcinogenic properties.

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

Ethyl N-(2-methylpropoxycarbothioyl)carbamate is subject to comprehensive European chemical regulations under REACH and CLP classifications. Its Carc. 1B and Muta. 1B classifications impose strict handling, labeling, and reporting requirements. While not currently listed as an SVHC, its hazardous properties require compliance with occupational exposure limits and worker protection measures. Users must maintain safety data sheets, implement risk management measures, and ensure proper training for personnel handling this substance.

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. OYSI provides this compound to qualified industrial and research customers with appropriate handling capabilities and safety protocols. Due to the substance's hazardous classification, purchases typically require verification of proper storage facilities, trained personnel, and compliance with safety regulations. Contact OYSI directly to discuss availability, technical specifications, and regulatory compliance requirements.

Data Sources

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