(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate

C11H17NO3

CAS122-15-6
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
122-15-6
EC Number
204-525-8
UN Number
2757
Index Number
006-010-00-1
PubChem CID
31201

Physical-chemical properties

Molecular Formula
C11H17NO3
Molar Mass
211.26 g/mol
IUPAC Name
(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate

Chemical Identifiers

InChI
InChI=1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3
InChI Key
ITEQSCBLCCNACE-UHFFFAOYSA-N

Overview

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate (CAS 122-15-6) is an organophosphorus-derived carbamate compound with potent biological activity and specialized industrial applications. This chemical compound, with the molecular formula C11H17NO3 and molecular weight of 211.26 g/mol, belongs to the carbamate family of organic compounds. The substance features a unique cyclohexenone ring structure substituted with dimethyl groups and a dimethylcarbamate functional group, which contributes to its distinctive chemical properties and biological activity. Its EC number 204-525-8 identifies it within European chemical regulations. The compound is classified under acute toxicity category 3, requiring careful handling protocols and appropriate safety measures. The GHS06 pictogram and "Danger" signal word indicate significant health hazards, particularly acute toxicity concerns. For transportation purposes, it falls under ADR class 6.1, designating it as a toxic substance requiring specialized logistics and documentation procedures. Safety considerations are paramount when handling this material, necessitating proper personal protective equipment, adequate ventilation systems, and trained personnel familiar with carbamate chemistry. Unlike simpler compounds such as chloromethylbenzene, this complex carbamate structure requires more sophisticated handling procedures due to its enhanced biological activity. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized research applications where its unique structural properties are advantageous. The compound's carbamate functionality makes it valuable in developing bioactive molecules and advanced chemical intermediates. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers throughout Europe with appropriate regulatory documentation and safety support.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

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

Toxic

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 Number2757
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameDimetan, fest
Marine PollutantNo

Frequently Asked Questions

What is (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is an organophosphate compound with the molecular formula C11H17NO3 and CAS number 122-15-6. This chemical substance has a molecular weight of 211.26 g/mol and belongs to the carbamate family. It is classified as an acutely toxic substance (Acute Tox. 3) requiring careful handling procedures. The compound features a cyclohexene ring structure with dimethyl substitutions and a carbamate functional group, making it chemically reactive and potentially hazardous to human health.

What are the physicochemical properties of (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is a chemical compound with a molecular weight of 211.26 g/mol and molecular formula C11H17NO3. The substance contains a ketone group and carbamate functionality, which influence its physical properties. As an organic compound with mixed polar and nonpolar characteristics, its solubility and physical state depend on temperature and environmental conditions. The presence of the cyclohexene ring and carbamate group affects its stability and reactivity profile.

What is (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate used for?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. The compound serves as a building block for developing more complex molecules due to its reactive carbamate and ketone functional groups. Its applications may include use in research laboratories, chemical manufacturing processes, and as a precursor in the synthesis of biologically active compounds. Professional users typically employ it in controlled industrial settings where proper safety measures are implemented.

How to handle (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate safely?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate requires strict safety precautions due to its Acute Tox. 3 classification and GHS06 pictogram. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke while handling the substance. Implement proper hygiene measures and wash hands thoroughly after use.

How to store (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate correctly?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Store in secondary containment to prevent spills and ensure separation from food, feed, and drinking water. Access should be restricted to trained personnel only. Regular inspection of storage containers is recommended to detect any signs of deterioration or leakage.

What to do in case of contact with (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate?

Immediate action is required if contact with (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate occurs due to its acute toxicity. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician, bringing the safety data sheet for reference.

How to dispose of (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate appropriately?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate disposal must comply with local, national, and international hazardous waste regulations due to its acute toxicity classification. The substance cannot be disposed of in regular waste streams and requires specialized hazardous waste treatment facilities. Contact licensed waste disposal companies experienced in handling toxic chemicals. Maintain proper documentation throughout the disposal process. Empty containers should also be treated as hazardous waste unless properly decontaminated according to regulatory guidelines.

How to transport (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation procedures for road transport. Shipments must display appropriate hazard labels and placards, and drivers need proper training and certification. Transport vehicles must carry emergency response information and appropriate spill cleanup materials. Compliance with UN packaging specifications and proper shipping names is mandatory for legal transportation.

Is (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate subject to specific regulations?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification for hazard communication. The substance is not currently listed as a Substance of Very High Concern (SVHC). Companies handling this chemical must ensure compliance with occupational safety standards, environmental protection laws, and chemical inventory reporting requirements. Import/export may require additional permits or notifications depending on jurisdiction and quantity. Regular monitoring of regulatory updates is essential for continued compliance.

Where to buy (5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate in Europe?

(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate is available through specialized chemical distributors like OYSI, a European distributor of technical chemicals. OYSI provides this compound to qualified professional users with appropriate safety documentation and regulatory compliance support. Due to its acute toxicity classification, purchases typically require verification of proper handling facilities and trained personnel. Contact OYSI directly for availability, technical specifications, and regulatory documentation. Other European chemical suppliers may also stock this compound for industrial and research applications.

Data Sources

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