(4-methyl-8-methylidene-2-adamantyl) acetate

C14H20O2

CAS122760-85-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
122760-85-4
EC Number
406-560-6
UN Number
3082
Index Number
607-336-00-2
PubChem CID
19830424

Physical-chemical properties

Molecular Formula
C14H20O2
Molar Mass
220.31 g/mol
IUPAC Name
(4-methyl-8-methylidene-2-adamantyl) acetate

Chemical Identifiers

InChI
InChI=1S/C14H20O2/c1-7-10-4-11-6-12(7)14(16-9(3)15)13(5-10)8(11)2/h8,10-14H,1,4-6H2,2-3H3
InChI Key
HYZYPKCUAUVUJO-UHFFFAOYSA-N

Overview

(4-methyl-8-methylidene-2-adamantyl) acetate (CAS 122760-85-4) is an adamantane-derived acetate ester with distinctive structural features and industrial fragrance applications. This specialized organic compound belongs to the adamantane acetate family, characterized by its unique tricyclic structure featuring both methyl and methylidene substituents on the adamantane core. With the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol, this acetate ester exhibits properties that make it valuable in various industrial applications, particularly in the fragrance and flavor industry where its structural similarity to compounds like 4-methyl-8-methylideneadamantan-2-ol provides interesting comparative possibilities. The compound presents moderate safety considerations, classified as a skin irritant (Category 2) and skin sensitizer (Category 1), requiring appropriate handling protocols in industrial settings. Its aquatic chronic toxicity classification (Category 2) necessitates careful environmental management during use and disposal. The GHS07 and GHS09 pictograms reflect these skin and environmental hazards, while its ADR Class 9 classification indicates miscellaneous dangerous goods requirements for transportation. Primary industrial applications include its use as a fragrance ingredient in perfumery formulations, where its adamantane structure contributes unique olfactory characteristics. The compound also finds application in specialty chemical synthesis and as an intermediate in the production of related adamantane derivatives. Additionally, it serves purposes in research and development of new fragrance compounds within the cosmetic and personal care industries. OYSI maintains reliable supply chains for (4-methyl-8-methylidene-2-adamantyl) acetate, ensuring consistent availability for European industrial customers requiring this specialized adamantane acetate for their manufacturing processes.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

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 Name4-Methyl-8-methylentricyclo[3.3.1.1<3,7>]dec-2-ylacetat
Marine PollutantNo

Frequently Asked Questions

What is (4-methyl-8-methylidene-2-adamantyl) acetate?

(4-methyl-8-methylidene-2-adamantyl) acetate is an organic chemical compound with the molecular formula C14H20O2 and CAS number 122760-85-4. This substance belongs to the adamantyl acetate family, featuring a distinctive adamantane backbone structure with methyl and methylidene substituents. With a molecular weight of 220.31 g/mol, it exhibits skin irritation and sensitization properties, requiring careful handling in industrial applications.

What are the physicochemical properties of (4-methyl-8-methylidene-2-adamantyl) acetate?

(4-methyl-8-methylidene-2-adamantyl) acetate is a chemical compound with molecular formula C14H20O2 and molecular weight 220.31 g/mol. As an organic acetate ester containing an adamantane structure, it typically exists as a solid or viscous liquid at room temperature. The compound's specific physical properties such as melting point, boiling point, and solubility characteristics depend on its structural configuration and should be verified through technical documentation.

What is (4-methyl-8-methylidene-2-adamantyl) acetate used for?

(4-methyl-8-methylidene-2-adamantyl) acetate serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research applications. Its unique adamantane structure makes it valuable for developing antiviral compounds, neurological medications, and advanced materials. The compound is primarily used in laboratory settings for research purposes and as a building block for more complex molecular structures in pharmaceutical and chemical industries.

How to handle (4-methyl-8-methylidene-2-adamantyl) acetate safely?

(4-methyl-8-methylidene-2-adamantyl) acetate requires careful handling due to its skin irritation and sensitization properties (Skin Irrit. 2; Skin Sens. 1). Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods, avoid breathing vapors, and ensure immediate access to eyewash stations and safety showers. Regular safety training and adherence to MSDS guidelines are mandatory.

How to store (4-methyl-8-methylidene-2-adamantyl) acetate correctly?

(4-methyl-8-methylidene-2-adamantyl) acetate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard warnings. Storage areas must be equipped with appropriate spill containment measures and restricted access. Maintain inventory records and regularly inspect containers for integrity. Follow local regulations for chemical storage and ensure compatibility with storage materials.

What to do in case of contact with (4-methyl-8-methylidene-2-adamantyl) acetate?

Immediate action is required upon contact with (4-methyl-8-methylidene-2-adamantyl) acetate due to its irritating properties. For skin contact, remove contaminated clothing and wash affected area 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. Seek medical attention if irritation persists or symptoms develop.

How to dispose of (4-methyl-8-methylidene-2-adamantyl) acetate appropriately?

(4-methyl-8-methylidene-2-adamantyl) acetate must be disposed of according to local, national, and international waste regulations as a chemical waste. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its aquatic toxicity classification (Aquatic Chronic 2). Maintain waste tracking documentation and ensure disposal facilities are authorized to handle this specific chemical class.

How to transport (4-methyl-8-methylidene-2-adamantyl) acetate?

(4-methyl-8-methylidene-2-adamantyl) acetate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements, and drivers need appropriate dangerous goods training certificates.

Is (4-methyl-8-methylidene-2-adamantyl) acetate subject to specific regulations?

(4-methyl-8-methylidene-2-adamantyl) acetate is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as Warning with GHS07 and GHS09 pictograms. The substance is not currently listed as SVHC (Substance of Very High Concern). Compliance with occupational safety regulations, environmental protection laws, and proper hazard communication through Safety Data Sheets is mandatory for commercial handling.

Where to buy (4-methyl-8-methylidene-2-adamantyl) acetate in Europe?

(4-methyl-8-methylidene-2-adamantyl) acetate is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides this substance to qualified industrial customers, research institutions, and pharmaceutical companies across Europe. All shipments comply with European chemical regulations and include proper documentation, Safety Data Sheets, and certificates of analysis to ensure product quality and regulatory compliance.

Data Sources

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