(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
C22H26O3
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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 an organic ester compound featuring a complex cyclopropane carboxylate structure with furan and benzyl substituents. This sophisticated organic molecule combines multiple structural elements including a cyclopropane ring, a furan heterocycle, and an ester linkage, making it a versatile building block in synthetic chemistry applications. The compound's molecular formula C22H26O3 reflects its substantial carbon framework with strategically positioned oxygen functionalities that contribute to its chemical reactivity and potential biological activity. From a safety perspective, this substance requires careful handling as it carries a Warning signal word under GHS classification. The compound presents acute toxicity concerns (Acute Tox. 4) and significant environmental hazards, being classified as both acutely and chronically toxic to aquatic life (Aquatic Acute 1; Aquatic Chronic 1). The presence of GHS07 and GHS09 pictograms emphasizes the need for appropriate personal protective equipment and environmental controls during handling and storage. Transport regulations classify it under ADR Class 9, indicating it requires special precautions during shipping. In industrial applications, this complex ester finds use primarily in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and advanced materials research. Its unique structural features make it particularly valuable in the development of bioactive compounds and as a building block for more complex molecular architectures. Unlike simpler compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this cyclopropane ester offers distinct steric and electronic properties that enable specialized synthetic transformations. OYSI maintains reliable supplies of this high-quality specialty chemical to support European research and manufacturing requirements.
Safety & Classification
Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Resmethrin (ISO) |
| Marine Pollutant | No |
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 a synthetic organic compound with the molecular formula C22H26O3 and CAS number 10453-86-8. This complex ester molecule has a molecular weight of 338.4 g/mol and features a unique structure combining a benzylfuran moiety with a substituted cyclopropane carboxylate. It is classified as hazardous with acute toxicity and environmental concerns, requiring careful handling in professional applications.
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. Based on its structure, it is likely a liquid or low-melting solid at room temperature with limited water solubility due to its hydrophobic aromatic and aliphatic components. The presence of the furan ring and ester functionality may impart characteristic odor properties. Specific physical data such as melting point, boiling point, and density should be confirmed through technical documentation.
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 in the fragrance and flavor industry as an aromatic ingredient. The complex molecular structure containing furan and ester functional groups provides specific olfactory properties valuable in perfumery and cosmetic formulations. It may also serve as an intermediate in organic synthesis for developing related aromatic compounds. Professional applications require expertise in fragrance chemistry and compliance with relevant safety and regulatory requirements for cosmetic and fragrance ingredients.
How to handle (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate safely?
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 extraction to minimize inhalation exposure. Avoid skin and eye contact, and prevent ingestion. Use proper laboratory techniques when transferring or measuring the substance. Emergency eyewash and safety shower facilities should be readily accessible. Follow established chemical handling protocols and ensure personnel are trained in safe handling procedures.
How to store (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate correctly?
Store the compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed containers to prevent contamination and evaporation. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure secondary containment to prevent environmental release. Avoid storage near oxidizing agents, strong acids, or bases. Implement proper inventory management and ensure storage areas comply with local environmental and safety regulations for hazardous substances.
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 while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting; rinse mouth with water. Seek immediate medical attention in all cases of exposure, especially given the Acute Tox. 4 classification. Provide safety data sheet information to medical personnel.
How to dispose of (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate appropriately?
Disposal must comply with local, national, and EU waste regulations due to its environmental hazard classification. The compound requires treatment as hazardous waste and cannot be disposed of in regular waste streams or sewers. Contact licensed hazardous waste disposal companies for proper collection and treatment. Incineration at appropriate high-temperature facilities may be suitable. Empty containers should also be treated as hazardous waste. Maintain documentation of disposal activities for regulatory compliance and traceability.
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 for transportation. Use approved packaging suitable for Class 9 substances and ensure proper labeling with appropriate hazard markings. Transport documentation must include the correct shipping name, UN number, and hazard class. Vehicles must carry appropriate emergency equipment and drivers require ADR training. Ensure compliance with quantity limitations and segregation requirements during transport to prevent environmental contamination.
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 EU REACH regulation requiring registration for commercial use and must comply with CLP classification and labeling requirements showing GHS07 and GHS09 pictograms with 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure proper risk assessment, safety data sheet provision, and downstream user obligations. Additional restrictions may apply for specific uses, particularly in cosmetics and consumer products due to its toxicological and environmental properties.
Where to buy (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing professional-grade materials with proper documentation and regulatory compliance. As an established chemical distributor, OYSI ensures product quality, appropriate packaging, and technical support for professional users. Contact OYSI directly for availability, specifications, and technical documentation. Other specialty chemical suppliers focusing on fragrance ingredients and fine chemicals may also carry this product, but verify their certification and compliance with European chemical regulations before purchasing.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.