4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

C16H26O

CAS676125-00-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 represents a sophisticated example of tricyclic chemistry, featuring a unique structural framework that combines multiple ring systems with strategic methyl and methoxy substitutions. The compound's molecular formula C16H26O and molecular weight of 234.38 g/mol reflect its substantial carbon backbone, while the tricyclo[6.2.1.01,6]undec-5-ene core structure provides distinctive three-dimensional geometry that influences its chemical behavior and potential applications. From a safety perspective, this substance is classified under GHS as a skin irritant (Skin Irrit. 2) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2), requiring appropriate handling protocols including personal protective equipment and environmental precautions. The Warning signal word and associated pictogrammes GHS07 and GHS09 indicate moderate hazard levels that necessitate professional handling practices. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. The compound's unique tricyclic structure and methoxy functionality make it valuable in specialized chemical synthesis applications, particularly as an intermediate in the production of complex organic molecules. Its structural complexity also lends itself to research applications in pharmaceutical chemistry and materials science. Similar to other structurally complex compounds like 3,3-bis(methoxymethyl)-2,6-dimethylheptane, this molecule may serve specialized roles in fragrance chemistry or as a building block for advanced materials applications. OYSI maintains availability of this specialized tricyclic compound to support European industrial and research customers requiring high-quality chemical intermediates for demanding applications.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H411

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

Skin Contact

Irritant

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name(1R,4R)-4-Methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.0<1,6>]undec-5-en
Marine PollutantNo

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 synthetic organic compound with the molecular formula C16H26O and CAS number 676125-00-1. This tricyclic molecule features a complex bridged ring system with methyl substituents and a methoxy functional 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 and aquatic chronic hazard substance.

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 is a compound with molecular formula C16H26O and molecular weight 234.38 g/mol. The presence of the methoxy group and multiple methyl substituents on the tricyclic framework suggests it is likely a hydrophobic organic liquid or solid at room temperature. Its complex tricyclic structure with an alkene functionality indicates limited water solubility and potential volatility depending on temperature conditions.

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 intermediate in organic synthesis and pharmaceutical research. Its complex tricyclic structure makes it valuable for developing novel compounds in medicinal chemistry and materials science. The compound may also serve as a building block for fragrance ingredients, specialty polymers, or advanced materials due to its unique structural features and functional groups.

How to safely handle 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 requires careful handling due to its skin irritant properties (Skin Irrit. 2). Always wear protective gloves, safety glasses, and appropriate clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The GHS07 pictogram indicates health hazards, so minimize exposure through proper personal protective equipment and good laboratory practices including regular hand washing.

How to properly store 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 should be stored in tightly closed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled with hazard information. Due to its aquatic chronic toxicity (Aquatic Chronic 2), prevent environmental release and store away from water sources. Use appropriate secondary containment and ensure storage areas comply with local chemical storage regulations.

What to do in case of contact with 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?

Immediate skin contact with 4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene requires washing the affected area with plenty of soap and water for at least 15 minutes. Remove contaminated clothing and wash before reuse. In case of eye contact, flush immediately with water for 15 minutes and seek medical attention. If inhaled, move to fresh air. Given its skin irritant classification, monitor for signs of irritation and consult a physician if symptoms persist or worsen.

How to properly dispose 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 must be disposed of through authorized hazardous waste disposal services due to its environmental hazard classification (Aquatic Chronic 2). Never dispose of down drains or into the environment. Contact licensed waste management companies for proper collection and treatment. Ensure waste containers are properly labeled and documented according to local and European waste regulations. Small quantities may require incineration at appropriate high-temperature facilities.

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 Substances), Packing Group III for transport purposes. This classification requires appropriate UN specification packaging, proper labeling with Class 9 hazard labels, and transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training. The relatively low hazard classification (Group III) allows for less restrictive transport conditions compared to higher hazard materials.

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 standard European chemical regulations including REACH registration requirements and CLP classification. It is not listed as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to CLP regulation with Warning signal word and appropriate GHS pictograms (GHS07, GHS09). Users must comply with safety data sheet requirements and ensure proper risk assessment before 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 specialized European distributor of technical chemicals. OYSI provides this specialty compound with proper documentation, safety data sheets, and regulatory compliance support across European markets. As a technical chemical with specific applications, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for current pricing, specifications, and delivery information for your specific requirements.

Data Sources

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