(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate

C11H13NO4

CAS22781-23-3
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
22781-23-3
EC Number
245-216-8
UN Number
2757
Index Number
006-046-00-8
PubChem CID
2314

Physical-chemical properties

Molecular Formula
C11H13NO4
Molar Mass
223.22 g/mol
IUPAC Name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate

Chemical Identifiers

InChI
InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
InChI Key
XEGGRYVFLWGFHI-UHFFFAOYSA-N

Overview

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate (CAS 22781-23-3) is a carbamate compound with significant toxicological properties and environmental impact concerns. This specialized carbamate derivative features a benzodioxole ring system substituted with a methylcarbamate functional group, resulting in a molecular formula of C11H13NO4 and molecular weight of 223.22 g/mol. The compound's structure incorporates both aromatic and heterocyclic elements, making it particularly relevant in various industrial applications where controlled reactivity is essential. The substance presents significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 2 and 3) with a "Danger" signal word and associated GHS06 and GHS09 pictograms. Its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1) indicates substantial environmental impact potential, requiring careful handling and disposal protocols. The ADR Class 6.1 designation confirms its status as a toxic substance requiring specialized transportation procedures. From a chemical perspective, this carbamate shares certain structural features with other nitrogen-containing aromatic compounds, though it differs significantly from simpler structures like N-methylaniline in terms of complexity and biological activity. The benzodioxole moiety provides unique electronic properties that distinguish it from conventional carbamate compounds. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, agrochemical production, and specialty chemical manufacturing. The compound's specific structural features make it valuable in applications requiring precise molecular recognition or controlled biological activity. OYSI maintains technical-grade availability of this specialized carbamate compound, supported by comprehensive safety documentation and regulatory compliance materials for European distribution.

Safety & Classification

Danger
Classification:

Acute Tox. 3; Acute Tox. 3; Acute Tox. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H300

Fatal if swallowed.

H400

Very toxic to aquatic life.

H410

Very 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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

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

Fatal

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 GroupII
Tunnel CodeD/E
Proper Shipping NameBendiocarb (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate is an organic chemical compound with the molecular formula C11H13NO4 and CAS number 22781-23-3. This carbamate derivative has a molecular weight of 223.22 g/mol and features a benzodioxole ring system with a methylcarbamate functional group. It is classified as a highly hazardous substance with acute toxicity properties and environmental concerns, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate is a solid organic compound at room temperature with a molecular weight of 223.22 g/mol. The compound contains both aromatic and aliphatic structural elements, with the benzodioxole ring providing stability and the carbamate group contributing to its reactivity. Its specific physical properties such as melting point, solubility, and appearance depend on purity and crystalline form, but detailed specifications should be confirmed with the supplier for each batch.

What is (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate used for?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate serves as an intermediate in organic synthesis and specialized chemical manufacturing processes. Given its carbamate structure, it may be utilized in the production of pharmaceuticals, agrochemicals, or other fine chemicals where precise molecular modifications are required. Its specific applications depend on the end-user's requirements and must comply with applicable regulations due to its high toxicity classification and environmental impact potential.

How to handle (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate safely?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate requires extreme caution during handling due to its Acute Tox. 2-3 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Workers must be trained in emergency procedures, avoid skin and eye contact, and prevent inhalation. All handling operations should follow strict protocols with immediate access to emergency wash facilities and antidote information.

How to store (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate correctly?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate must be stored in a secure, well-ventilated area away from incompatible materials, heat sources, and moisture. The storage facility should be temperature-controlled, equipped with appropriate containment systems, and accessible only to authorized personnel. Due to its high toxicity and environmental hazard classification, storage areas require secondary containment, emergency response equipment, and compliance with local hazardous substance storage regulations including proper labeling and inventory management.

What to do in case of contact with (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate?

Immediate action is critical following contact with (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate due to its high acute toxicity. For skin contact, remove contaminated clothing and flush with copious water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, rinse thoroughly with water. In all cases, contact emergency services immediately and provide the safety data sheet to medical personnel. Never induce vomiting if ingested.

How to dispose of (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate appropriately?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate requires disposal through licensed hazardous waste management facilities due to its acute toxicity and environmental hazard classification. The compound cannot be disposed of in regular waste streams or sewage systems. Disposal must comply with local and European waste regulations, including proper waste coding, documentation, and chain-of-custody procedures. Incineration at high temperatures in specialized facilities is typically the preferred disposal method for this type of toxic organic compound.

How to transport (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate is classified as ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant transport hazards. Shipments require proper dangerous goods packaging, labeling with GHS06 and GHS09 pictograms, and appropriate transport documentation. Only certified carriers with dangerous goods authorization can transport this material. Vehicles must carry emergency response information, and drivers require ADR training. Sea and air transport follow IMDG and IATA dangerous goods regulations respectively.

Is (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate subject to specific regulations?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC, its acute toxicity and environmental hazard classifications impose strict handling, storage, and disposal requirements. Users must maintain safety data sheets, implement risk management measures, and comply with occupational exposure limits. Import/export may require additional permits, and use restrictions may apply in certain applications or consumer products.

Where to buy (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate in Europe?

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this highly regulated substance to qualified industrial customers with proper handling capabilities and regulatory compliance. Given the compound's hazardous classification, purchases require verification of end-use applications, appropriate safety infrastructure, and waste disposal arrangements. Contact OYSI's technical team for availability, specifications, and regulatory documentation to ensure compliant procurement and handling procedures.

Data Sources

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