7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
C13H25NO2
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Identification
- CAS Number
- 79185-77-6
- EC Number
- 417-140-7
- UN Number
- 3082
- Index Number
- 613-219-00-7
- PubChem CID
- 3664989
Physical-chemical properties
- Molecular Formula
- C13H25NO2
- Molar Mass
- 227.34 g/mol
- IUPAC Name
- 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
Chemical Identifiers
- InChI
- InChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3
- InChI Key
- ZFNYRUONSKXJOW-UHFFFAOYSA-N
Overview
7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CAS 79185-77-6) is a bicyclic heterocyclic compound with oxazole ring systems and branched alkyl substituents. This specialized organic compound features a unique fused oxazolo-oxazole bicyclic structure with ethyl and isopropyl substituents, making it valuable for specific industrial applications requiring controlled reactivity and stability. With a molecular formula of C13H25NO2 and molecular weight of 227.34 g/mol, this compound belongs to the heterocyclic nitrogen-containing compounds family, characterized by its dual oxazole ring configuration. The compound exhibits moderate safety considerations, classified as a skin irritant (Skin Irrit. 2) and presenting chronic aquatic toxicity (Aquatic Chronic 2). Safety protocols require appropriate handling procedures with suitable protective equipment to prevent skin contact. The GHS07 and GHS09 pictograms indicate both health and environmental precautions are necessary during storage, handling, and transportation. As an ADR Class 9 substance, it requires specific packaging and documentation for transport compliance. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. The compound's structural similarity to other branched heterocycles like 3,3-bis(methoxymethyl)-2,6-dimethylheptane makes it particularly useful in applications requiring specific molecular architecture and controlled chemical properties. Its unique bicyclic structure provides enhanced stability compared to simpler oxazole derivatives, making it suitable for demanding synthetic processes. The compound also finds application in research and development of novel materials where the combination of nitrogen heterocycles and branched alkyl chains provides desired performance characteristics. OYSI maintains reliable supply chains for this specialized compound to support European industrial and research requirements.
Safety & Classification
Skin Irrit. 2; Aquatic Chronic 2
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
Skin Contact
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:
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 7a-Ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is a bicyclic organic compound with molecular formula C13H25NO2 and CAS number 79185-77-6. This chemical substance has a molecular weight of 227.34 g/mol and features a complex oxazolo structure with ethyl and isopropyl substituents. It is classified as a skin irritant and presents chronic aquatic toxicity concerns, requiring appropriate handling precautions during industrial use.
What are the physicochemical properties of 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
This compound exhibits specific physicochemical characteristics based on its molecular structure C13H25NO2 with a molecular weight of 227.34 g/mol. The bicyclic oxazolo structure with alkyl substituents influences its physical state, solubility profile, and stability. Detailed physical properties such as melting point, boiling point, and solubility data should be obtained from technical datasheets for specific applications and handling requirements.
What is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole used for?
This compound serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research applications. Its unique bicyclic oxazolo structure makes it valuable for developing complex molecular frameworks in medicinal chemistry and materials science. Industrial applications may include use as a building block for active pharmaceutical ingredients, specialty chemicals, or research compounds requiring specific structural features provided by the oxazolo ring system.
How to handle 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure. Avoid direct skin and eye contact due to its Skin Irritant Category 2 classification. Ensure proper training on chemical handling procedures and have emergency procedures readily available before working with this substance.
How to store 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole correctly?
Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Maintain storage temperatures as specified in technical documentation and protect from moisture and light exposure. Ensure storage areas have appropriate secondary containment and are separated from incompatible substances. Regular inspection of container integrity and proper labeling according to GHS requirements (GHS07, GHS09 pictograms) is essential for safe storage practices.
What to do in case of contact with 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
In case of skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes due to skin irritation potential. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air and monitor breathing. Seek medical advice if irritation persists or symptoms develop, providing safety data sheet information to healthcare professionals.
How to dispose of 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole appropriately?
Disposal must comply with local, national, and international environmental regulations due to its Aquatic Chronic Category 2 classification. Contact licensed waste disposal companies specialized in chemical waste management for proper treatment and disposal. Do not discharge to waterways, soil, or municipal sewage systems. Maintain waste tracking documentation and ensure disposal methods prevent environmental contamination while following applicable hazardous waste regulations.
How to transport 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
This substance is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. Use appropriate packaging meeting UN specifications for Class 9 materials and ensure proper documentation including transport documents and emergency response information. Vehicles must display appropriate placarding and drivers require ADR training certification. Follow temperature and handling requirements during transit to maintain product integrity and safety.
Is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole subject to specific regulations?
This compound is subject to European REACH regulation and CLP classification requirements, displaying GHS07 and GHS09 pictograms with 'Warning' signal word. It is not currently identified as a Substance of Very High Concern (SVHC). Compliance with classification as Skin Irritant Category 2 and Aquatic Chronic Category 2 is mandatory, including appropriate labeling, safety data sheet provision, and registration requirements under applicable chemical legislation.
Where to buy 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing quality products with proper documentation and regulatory compliance. As an established chemical distributor, OYSI ensures appropriate packaging, labeling, and safety data sheet provision meeting European standards. Contact OYSI directly for availability, technical specifications, packaging options, and delivery arrangements throughout Europe while maintaining full regulatory compliance for your specific application requirements.
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SDS Service
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Technical Consulting
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REACH Safety Data Sheet
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ADR Consulting for 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole 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.