(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C22H26O3

CAS10453-86-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
10453-86-8
EC Number
233-940-7
UN Number
3077
Index Number
613-060-00-3
PubChem CID
5053

Physical-chemical properties

Molecular Formula
C22H26O3
Molar Mass
338.40 g/mol
IUPAC Name
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Chemical Identifiers

InChI
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
InChI Key
VEMKTZHHVJILDY-UHFFFAOYSA-N

Overview

(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CAS 10453-86-8) is a complex organic ester compound featuring cyclopropane and furan ring structures with significant aquatic toxicity concerns. This specialized chemical compound represents an advanced synthetic molecule characterized by its intricate molecular architecture combining multiple ring systems and functional groups. With the molecular formula C22H26O3 and a molecular weight of 338.4 g/mol, this substance exhibits the structural complexity typical of modern pharmaceutical intermediates and specialty chemical applications. The compound features a distinctive cyclopropane carboxylate core linked to a substituted furan ring system through a methyl bridge, creating unique chemical properties that make it valuable for specific industrial processes. From a safety perspective, this compound requires careful handling protocols due to its classification under multiple hazard categories. The substance carries a Warning signal word and displays both GHS07 and GHS09 pictograms, indicating moderate acute toxicity and significant environmental hazards. Its Acute Tox. 4 classification suggests potential health risks upon exposure, while the Aquatic Acute 1 and Aquatic Chronic 1 classifications highlight severe aquatic toxicity requiring stringent environmental protection measures. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. Industrial applications typically include use as an advanced intermediate in pharmaceutical synthesis, specialty polymer chemistry, and fine chemical manufacturing. The compound's unique structural features make it particularly valuable in applications requiring specific stereochemical properties, similar to other complex molecules like [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate used in specialized synthetic pathways. Research and development laboratories also utilize this compound for creating novel chemical entities with tailored biological or material properties. OYSI provides this high-purity specialty chemical to qualified industrial customers across Europe, ensuring proper documentation and compliance with all relevant safety and environmental regulations.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful 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

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 NameResmethrin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is an organic chemical compound with the molecular formula C22H26O3 and CAS number 10453-86-8. This synthetic ester has a molecular weight of 338.4 g/mol and features a complex structure combining furan, cyclopropane, and benzyl functional groups. The compound is classified as moderately toxic and highly hazardous to aquatic environments.

What are the physicochemical properties of (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

The compound is an organic ester with molecular formula C22H26O3 and molecular weight 338.4 g/mol. As a complex aromatic ester, it likely exists as a liquid or low-melting solid at room temperature with limited water solubility due to its hydrophobic aromatic and aliphatic components. The presence of furan and benzyl groups suggests it may have a characteristic organic odor. Specific physical properties should be confirmed through technical data sheets.

What is (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate used for?

This compound is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its complex ester structure makes it valuable for pharmaceutical research, agrochemical development, and specialty chemical production. The combination of furan, cyclopropane, and benzyl functional groups provides unique reactivity for creating more complex molecular structures. It may also serve as a building block in fragrance or flavor chemistry applications.

How to safely handle (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 classification. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and prevent environmental release given its high aquatic toxicity (GHS09 pictogram). Implement spill containment measures and ensure emergency eyewash and shower stations are accessible.

How to properly store (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

Store the compound in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use tightly sealed containers to prevent contamination and vapor release. Given its aquatic toxicity classification, implement secondary containment to prevent environmental contamination. Store away from oxidizing agents and strong acids or bases. Maintain storage temperature according to manufacturer specifications and ensure proper labeling with GHS hazard information.

What to do in case of contact with (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

In case of skin contact, 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 15-20 minutes and seek medical attention. If inhaled, move person to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to properly dispose of (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

Disposal must comply with local, national, and international environmental regulations due to its high aquatic toxicity classification. The compound should be treated as hazardous waste and disposed of through licensed waste management facilities. Never discharge to sewers, waterways, or soil. Small quantities may require incineration at high temperatures in approved facilities. Consult local environmental authorities and waste management companies for proper disposal procedures and documentation requirements.

How to transport (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

The compound is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, indicating moderate transport hazard. It requires appropriate UN specification packaging and hazard labeling for road transport. Shipping documents must include proper shipping name, UN number, and hazard class. Transport vehicles should carry appropriate emergency response information. Ensure compliance with international transport regulations (ADR/RID for Europe, IMDG for sea, IATA for air transport).

Is (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate subject to specific regulations?

The compound is subject to CLP regulation for classification and labeling in Europe, requiring GHS07 and GHS09 pictograms with 'Warning' signal word. It falls under REACH regulation for chemical registration and evaluation. While not currently a SVHC (Substance of Very High Concern), its aquatic toxicity may trigger additional environmental reporting requirements. Companies must maintain safety data sheets and ensure proper worker protection measures under occupational health regulations.

Where to buy (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate in Europe?

OYSI is a reliable European distributor offering (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with comprehensive regulatory compliance and technical support. As a specialized chemical distributor, OYSI provides proper documentation, safety data sheets, and ensures adherence to European regulations including REACH and CLP. Contact OYSI directly for availability, specifications, and pricing information to meet your specific application requirements.

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(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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