(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

C13H18O5S

CAS26225-79-6
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
26225-79-6
EC Number
247-525-3
UN Number
3077
Index Number
607-314-00-2
PubChem CID
33360

Physical-chemical properties

Molecular Formula
C13H18O5S
Molar Mass
286.35 g/mol
IUPAC Name
(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Chemical Identifiers

InChI
InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
InChI Key
IRCMYGHHKLLGHV-UHFFFAOYSA-N

Overview

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate (CAS 26225-79-6) is a specialized benzofuran derivative methanesulfonate ester with distinct structural properties for technical applications. This organic compound represents a sophisticated chemical structure combining a substituted benzofuran ring system with a methanesulfonate functional group. The molecular formula C13H18O5S indicates a complex arrangement featuring ethoxy and dimethyl substituents on the benzofuran core, creating unique chemical characteristics that distinguish it from simpler organic compounds. With a molecular weight of 286.35 g/mol, this substance exhibits specific physicochemical properties that make it valuable for specialized industrial processes. The compound's safety profile requires careful consideration due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating significant environmental hazards to aquatic life. The GHS09 pictogram and "Warning" signal word reflect its potential environmental impact, necessitating appropriate handling procedures and containment measures. Transport classification under ADR Class 9 (miscellaneous dangerous goods) further emphasizes the need for specialized logistics and storage protocols. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and as a reagent in organic synthesis processes. The methanesulfonate functionality provides excellent leaving group properties, making it particularly valuable in nucleophilic substitution reactions. Unlike simpler compounds such as copper(1+) thiocyanate, this benzofuran derivative offers more complex reactivity patterns suitable for advanced synthetic applications. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameEthofumesat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is an organic chemical compound with CAS number 26225-79-6 and molecular formula C13H18O5S. This benzofuran derivative has a molecular weight of 286.35 g/mol and features a methanesulfonate functional group attached to a substituted benzofuran ring system. The compound is classified as hazardous to aquatic environments and requires proper handling protocols in industrial applications.

What are the physicochemical properties of (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is a solid organic compound with molecular formula C13H18O5S and molecular weight 286.35 g/mol. As a methanesulfonate ester, it typically exhibits moderate to good solubility in polar organic solvents. The benzofuran structure contributes to its stability under normal conditions. Specific physical properties such as melting point, boiling point, and exact appearance may vary depending on purity and crystalline form.

What is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate used for?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate serves as an intermediate in pharmaceutical and fine chemical synthesis. Methanesulfonate esters are commonly used as alkylating agents in organic synthesis and can function as protecting groups or reactive intermediates. The benzofuran moiety suggests potential applications in developing bioactive compounds. This chemical is primarily utilized in research laboratories and specialized manufacturing processes requiring high-purity intermediates.

How to handle (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate safely?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate requires standard laboratory safety precautions during handling. Wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct contact with skin, eyes, and inhalation. The compound carries a Warning signal word and requires careful handling to prevent environmental contamination due to its aquatic toxicity classification.

How to store (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate correctly?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protect from moisture, as methanesulfonate esters can be sensitive to hydrolysis. Store away from heat sources and direct sunlight. Due to its aquatic toxicity classification, ensure proper containment to prevent environmental release. Use appropriate secondary containment and maintain proper inventory records for regulatory compliance.

What to do in case of contact with (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

Immediate action is required following contact with (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention. Always consult the safety data sheet and contact emergency services if severe symptoms occur.

How to dispose of (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate appropriately?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate must be disposed of through licensed hazardous waste disposal facilities due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Do not discharge to sewers, waterways, or soil. Collect waste in appropriate containers and label clearly. Follow local, national, and EU waste regulations including the Waste Framework Directive. Contact certified waste management companies for proper collection and treatment to prevent environmental contamination.

How to transport (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires specific packaging, marking, and documentation according to international dangerous goods regulations. Use UN-approved packaging and ensure proper labeling with environmental hazard markings due to its aquatic toxicity. Transport should be handled by carriers qualified for hazardous materials with appropriate vehicle placarding and shipping documentation.

Is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate subject to specific regulations?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is subject to EU REACH regulation requiring registration for manufacture or import above one tonne annually. The compound is classified under CLP regulation with GHS09 environmental pictogram and Warning signal word. It is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, environmental discharge restrictions, and proper waste management according to local and EU chemical legislation.

Where to buy (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate in Europe?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to qualified industrial and research customers with proper documentation including safety data sheets and certificates of analysis. As a regulated chemical with specific transport and handling requirements, procurement requires verification of end-use applications and compliance with applicable chemical regulations across European markets.

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Data Sources

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