(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 featuring a distinctive methylidene substituent and recognized skin sensitization properties. This specialized organic compound represents a sophisticated derivative of the adamantane framework, characterized by its unique structural modifications including a methyl group at position 4 and a methylidene group at position 8 of the adamantane core. With a molecular formula of C14H20O2 and molecular weight of 220.31 g/mol, this acetate ester exhibits properties typical of functionalized adamantane derivatives while maintaining the inherent stability of the tricyclic saturated hydrocarbon scaffold. The compound's classification profile indicates moderate safety concerns, particularly regarding skin contact. It is classified as Skin Irritant Category 2 and Skin Sensitizer Category 1, requiring appropriate handling precautions and personal protective equipment during industrial operations. The substance also presents environmental considerations with its Aquatic Chronic Category 2 classification, necessitating controlled release and proper waste management protocols. These characteristics distinguish it from simpler adamantane derivatives like 4-methyl-8-methylideneadamantan-2-ol, which shares structural similarities but different functional group properties. Industrial applications for (4-methyl-8-methylidene-2-adamantyl) acetate typically include specialty chemical synthesis, where its unique adamantane structure provides valuable molecular rigidity and stability. The compound serves as an important intermediate in pharmaceutical research and development, particularly in projects requiring adamantane-based scaffolds. Additionally, it finds application in materials science research, where adamantane derivatives contribute to the development of specialized polymers and advanced materials with enhanced thermal and mechanical properties. OYSI maintains reliable access to (4-methyl-8-methylidene-2-adamantyl) acetate through our established European supply network, ensuring consistent availability for technical and research applications.

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 a synthetic organic compound with the molecular formula C14H20O2 and CAS number 122760-85-4. This acetate ester features a modified adamantane backbone with methyl and methylidene substituents. With a molecular weight of 220.31 g/mol, it belongs to the family of adamantyl derivatives known for their unique cage-like tricyclic structure, which imparts distinctive chemical and physical properties to the molecule.

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

(4-methyl-8-methylidene-2-adamantyl) acetate is an organic ester compound with a molecular weight of 220.31 g/mol and formula C14H20O2. As an acetate ester with an adamantane framework, it typically presents as a colorless to pale yellow liquid or solid at room temperature. The compound's solubility characteristics are influenced by both its ester functionality and the lipophilic adamantane core, making it moderately soluble in organic solvents.

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

(4-methyl-8-methylidene-2-adamantyl) acetate serves primarily as an intermediate in pharmaceutical and fine chemical synthesis. Its unique adamantane structure makes it valuable for developing compounds with enhanced stability and bioavailability. The compound finds applications in medicinal chemistry research, particularly in the development of antiviral agents and neurological medications, where the adamantane framework is known to provide beneficial pharmacokinetic properties and structural rigidity to drug molecules.

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 potential (Skin Irrit. 2; Skin Sens. 1). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Ensure adequate ventilation in work areas and avoid generating aerosols. Handle in well-ventilated areas or under fume hoods, and wash hands thoroughly after use to prevent sensitization reactions.

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

(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 direct sunlight. Keep containers upright and properly labeled with hazard information. Due to its aquatic toxicity classification (Aquatic Chronic 2), ensure storage areas have appropriate spill containment measures. Store away from incompatible materials and maintain temperatures according to supplier specifications to prevent degradation of the acetate ester bond.

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

Immediate removal from contact is essential when exposed to (4-methyl-8-methylidene-2-adamantyl) acetate due to its skin irritation and sensitization properties. For skin contact, immediately wash affected areas with plenty of soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse thoroughly with clean water. If irritation persists or allergic reactions develop, seek medical attention promptly. Do not use solvents or oils for skin decontamination.

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

(4-methyl-8-methylidene-2-adamantyl) acetate must be disposed of through licensed hazardous waste disposal facilities due to its environmental classification (Aquatic Chronic 2). The compound cannot be discharged to sewers or waterways and requires treatment as hazardous chemical waste. Collect waste in appropriate containers, properly labeled with contents and hazard information. Follow local and national regulations for hazardous waste management, including waste classification codes and transport requirements for disposal facilities.

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

(4-methyl-8-methylidene-2-adamantyl) acetate is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating moderate transport hazard. Shipments must comply with UN packaging requirements for Class 9 materials and bear appropriate hazard labels including GHS07 and GHS09 pictograms. Transport documentation must include proper shipping names, hazard classifications, and emergency response information. Use approved packaging and ensure vehicles meet ADR requirements for Class 9 substances.

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

(4-methyl-8-methylidene-2-adamantyl) acetate falls under European CLP regulation requiring classification as Skin Irrit. 2, Skin Sens. 1, and Aquatic Chronic 2 with Warning signal word. The compound is subject to REACH registration requirements for manufacture or import above tonnage thresholds. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental discharge restrictions, and provide appropriate safety data sheets per regulatory requirements.

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

(4-methyl-8-methylidene-2-adamantyl) acetate is available through specialized chemical distributors serving the European market. OYSI, as a European distributor of technical chemicals, can provide this compound for industrial and research applications. When sourcing, ensure suppliers provide complete safety documentation, certificates of analysis, and comply with REACH registration requirements. Contact OYSI's technical sales team for availability, specifications, and regulatory compliance documentation for your specific application requirements.

Data Sources

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