4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
C16H26O
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Identification
- CAS Number
- 676125-00-1
- EC Number
- 444-480-3
- UN Number
- 3082
- Index Number
- 603-234-00-7
- PubChem CID
- 78062915
Physical-chemical properties
- Molecular Formula
- C16H26O
- Molar Mass
- 234.38 g/mol
- IUPAC Name
- 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
Chemical Identifiers
- InChI
- InChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3
- InChI Key
- VIHCRGZIINXRHA-UHFFFAOYSA-N
Overview
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (CAS 676125-00-1) is a complex tricyclic organic compound with methoxy functionality and tetramethyl substitution pattern. This specialized organic molecule belongs to the tricyclic compound family, characterized by its unique three-ring structure with a bridged configuration. With the molecular formula C16H26O and a molecular weight of 234.38 g/mol, this compound features a methoxy group (-OCH3) attached to the tricyclic framework, along with four methyl substituents positioned at the 2,2,7,7 locations. The presence of a double bond in the 5-position of the undecane backbone adds to its structural complexity and potential reactivity profile. From a safety perspective, this substance is classified under the GHS system with Warning signal word, requiring appropriate handling precautions. The compound exhibits skin irritation properties (Skin Irrit. 2) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2), as indicated by the GHS07 and GHS09 pictograms. Its ADR classification as Class 9 identifies it as a miscellaneous dangerous substance for transportation purposes. The tricyclic structure and methoxy functionality make this compound particularly valuable in specialized chemical synthesis applications, where its unique molecular architecture can serve as a building block for more complex molecules. It finds applications in pharmaceutical intermediate synthesis and specialty chemical manufacturing. Unlike simpler compounds such as 3,3-bis(methoxymethyl)-2,6-dimethylheptane, this tricyclic structure offers enhanced rigidity and specific spatial arrangements that are crucial for certain synthetic pathways. Industrial applications typically include use as an intermediate in organic synthesis, particularly in the development of complex pharmaceutical compounds and specialty materials. The compound's structural features also make it suitable for research applications in medicinal chemistry and materials science. OYSI maintains reliable supply chains for this specialized tricyclic compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.
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 | (1R,4R)-4-Methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.0<1,6>]undec-5-en |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is a complex organic compound with the molecular formula C16H26O and CAS number 676125-00-1. This tricyclic molecule features a distinctive bridged ring system with four methyl substituents and a methoxy group. With a molecular weight of 234.38 g/mol, it belongs to the class of substituted tricyclic compounds and is classified as a skin irritant with potential environmental concerns for aquatic ecosystems.
What are the physicochemical properties of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene has a molecular formula of C16H26O with a molecular weight of 234.38 g/mol. The compound features a complex tricyclic structure with multiple methyl groups and a methoxy functional group. Due to its organic nature and structural characteristics, it is expected to have limited water solubility and good solubility in organic solvents. Specific physical properties such as melting point, boiling point, and density would require analytical determination.
What is 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene used for?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is typically used as a specialty chemical in various industrial applications. Its unique tricyclic structure makes it valuable as a chemical intermediate in organic synthesis, potentially for the production of fragrances, pharmaceuticals, or advanced materials. The compound may also serve as a research chemical for academic and industrial R&D purposes, particularly in studies involving complex organic molecules and their reactivity patterns.
How to handle 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene safely?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene requires careful handling due to its skin irritant properties (Skin Irrit. 2). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin contact and ensure emergency eyewash and shower facilities are readily accessible. Handle containers carefully to prevent spills and maintain good hygiene practices throughout the handling process.
How to store 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene properly?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent contamination and evaporation. Store separately from incompatible materials such as strong oxidizing agents. Ensure storage areas are equipped with appropriate spill containment measures and maintain proper inventory management. Given its aquatic toxicity classification, prevent any potential release to drainage systems or water sources during storage.
What to do in case of contact with 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
Immediate action is required in case of contact with 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention if irritation persists or develops. Do not induce vomiting if accidentally ingested.
How to dispose of 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene properly?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene must be disposed of according to local and national hazardous waste regulations. Due to its aquatic toxicity classification (Aquatic Chronic 2), prevent any release to water systems or soil. Contact licensed hazardous waste disposal companies for proper collection and treatment. Do not dispose of in regular waste streams or pour down drains. Maintain proper documentation of disposal activities and ensure compliance with all applicable environmental protection laws and waste management regulations.
How to transport 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Containers must be properly secured and marked with the correct hazard labels and shipping names. Transport vehicles should carry appropriate emergency response information and spill cleanup materials. Ensure compliance with all applicable transportation regulations for dangerous goods across relevant jurisdictions.
Is 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene subject to specific regulations?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is subject to various chemical regulations including REACH (Registration, Evaluation, Authorization of Chemicals) in Europe and CLP (Classification, Labelling and Packaging) requirements. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must be properly classified and labeled according to GHS standards with Warning signal word and appropriate pictograms (GHS07, GHS09). Compliance with occupational health and safety regulations and environmental protection laws is mandatory for commercial use.
Where to buy 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene in Europe?
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a specialty chemical, this compound may require specific sourcing arrangements and lead times. Contact OYSI directly for availability, technical specifications, packaging options, and pricing information. Professional customers can benefit from OYSI's expertise in chemical distribution and regulatory compliance throughout Europe.
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ADR Consulting for 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene 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.