4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
C18H26O
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Identification
- CAS Number
- 1222-05-5
- EC Number
- 214-946-9
- UN Number
- 3082
- Index Number
- 603-212-00-7
- PubChem CID
- 91497
Physical-chemical properties
- Molecular Formula
- C18H26O
- Molar Mass
- 258.40 g/mol
- IUPAC Name
- 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
Chemical Identifiers
- InChI
- InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
- InChI Key
- ONKNPOPIGWHAQC-UHFFFAOYSA-N
Overview
4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (CAS 1222-05-5) is a synthetic organic compound with a complex polycyclic structure featuring multiple methyl substituents. This specialized chemical compound, with molecular formula C18H26O and molecular weight 258.4 g/mol, belongs to the isochromene family of heterocyclic compounds. Its unique cyclopenta[g]isochromene framework incorporates six methyl groups strategically positioned to influence both its physical properties and chemical reactivity. The molecule's tetrahydro configuration indicates partial saturation of the ring system, contributing to its stability under standard conditions. From a safety perspective, this compound is classified under the Warning signal word with GHS09 pictogram, indicating potential environmental hazards. It carries Aquatic Acute 1 and Aquatic Chronic 1 hazard classifications, requiring careful handling to prevent environmental release. The ADR Class 9 designation categorizes it as a miscellaneous dangerous substance for transportation purposes, necessitating appropriate packaging and documentation protocols. The compound's structural complexity and stability profile make it valuable in several industrial applications. It serves as an important intermediate in pharmaceutical synthesis, particularly in the development of bioactive molecules requiring polycyclic scaffolds. Additionally, it finds application in specialty chemical manufacturing where its unique chromene-based structure provides specific reactivity patterns. The fragrance and flavor industry also utilizes compounds with similar structural motifs, though applications may vary compared to structurally different materials like copper(1+) thiocyanate or (3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for industrial clients across European markets.
Safety & Classification
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
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene is an organic chemical compound with the molecular formula C18H26O and a molecular weight of 258.4 g/mol. This substance belongs to the family of isochromene derivatives and is characterized by its complex polycyclic structure with multiple methyl substituents. It is classified under CAS number 1222-05-5 and presents specific environmental hazards that require appropriate handling and safety measures in industrial applications.
What are the physicochemical properties of 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
This compound is an organic molecule with molecular formula C18H26O and molecular mass 258.4 g/mol, indicating a relatively complex structure with oxygen functionality. As a substituted isochromene derivative, it likely exists as a liquid or solid at room temperature depending on purity and specific isomeric form. The multiple methyl groups suggest good lipophilicity and potential volatility. Specific physical properties such as melting point, boiling point, and solubility characteristics should be confirmed through technical data sheets from suppliers.
What is 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene used for?
This compound is primarily used in the fragrance and flavor industry as an aromatic ingredient. Its complex polycyclic structure with methyl substituents provides specific olfactory properties that make it valuable in perfumery applications, cosmetic formulations, and household products. It may also serve as an intermediate in organic synthesis for developing other fragrance compounds or specialty chemicals. Industrial applications typically involve incorporation into consumer products where its aromatic characteristics enhance the final product's sensory profile.
How to handle 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene safely?
Safe handling requires standard chemical safety protocols including wearing appropriate personal protective equipment such as safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems to minimize inhalation exposure. Given its aquatic toxicity classification, particular attention must be paid to preventing environmental release. Avoid contact with skin and eyes, and ensure proper containment measures are in place to prevent spills that could reach water systems or soil.
How to store 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene correctly?
Proper storage requires keeping the substance in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Storage areas should be equipped with appropriate spill containment measures to prevent environmental contamination, given its aquatic toxicity classification. Containers should be clearly labeled and stored according to local chemical storage regulations. Temperature-controlled storage may be necessary to maintain product stability and prevent degradation. Incompatible materials should be stored separately to avoid potential reactions.
What to do in case of contact with 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
In case of skin contact, immediately wash the affected area thoroughly with soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact poison control or medical professionals when necessary.
How to dispose of 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene properly?
Disposal must comply with local, national, and EU waste regulations due to its aquatic toxicity classification. The substance should never be discharged into sewers, waterways, or soil due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Waste should be collected in appropriate containers and disposed of through licensed hazardous waste disposal companies. Incineration at approved high-temperature facilities may be suitable, but always consult local environmental authorities and follow waste classification codes for proper disposal procedures.
How to transport 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
Transportation is regulated under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate danger during transport. Packaging must comply with ADR requirements for Class 9 substances, using approved containers and labeling. Vehicles must carry appropriate documentation including transport documents and emergency response information. Drivers require ADR training for Class 9 materials. Shipments should be secured to prevent damage and equipped with spill containment materials. Environmental protection measures are particularly important given the aquatic toxicity classification.
Is 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene subject to specific regulations?
This substance is subject to EU REACH regulation requiring registration for manufacture or import above one tonne per year. Under CLP regulation, it must be classified with Warning signal word and GHS09 pictogram due to its aquatic toxicity. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must ensure proper classification, labeling, and safety data sheet provision. Additional restrictions may apply under national legislation, particularly regarding environmental protection given its aquatic hazard classification. Regular regulatory updates should be monitored.
Where to buy 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene in Europe?
OYSI serves as a reliable European distributor for 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene, offering professional chemical distribution services across European markets. As an established chemical supplier, OYSI provides technical support, regulatory compliance documentation, and quality assurance for industrial customers. Their European network ensures efficient logistics and proper handling of classified substances. Contact OYSI directly for availability, technical specifications, safety data sheets, and pricing information tailored to your specific application requirements and volume needs.
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ADR Consulting for 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene 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.