1-Methyl Adamantane

Basic Information

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CAS Number

768-91-2

Molecular Formula

C11H18

Molecular Weight

150.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/t8-,9+,10-,11?

InChIKey

UZUCFTVAWGRMTQ-QGYQLCJMSA-N

LogP

3.2227000000000023

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

139

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0671901
768-91-2
methyladamantane
A19438
1-Methyladamantane
CHEBI:39004
DTXSID80227617
MFCD00216215
W17233
AKOS006345764
Q27118091
UZUCFTVAWGRMTQ-DTIDVZRVSA-N
AKOS003369039
(3R,5S,7S)-1-METHYLADAMANTANE
Tricyclo[3.3.1.1~3,7~]decane, 1-methyl-
5-methyl-adamantane
CS-0061414
1-methyl adamantane

MDL Number

MFCD00216215

Customs Code

2902199090

FAQ

What regulatory guidelines apply to 1-Methyl Adamantane (CAS: 768-91-2)?

1-Methyl Adamantane (CAS: 768-91-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), with classification as a flammable liquid. It is also subject to the European Union's REACH regulation, which requires Registration, Evaluation, Authorization, and Restriction of Chemicals. In the United States, it is regulated by the EPA for environmental and occupational safety. FDA may also have specific guidelines for its use in pharmaceutical applications.

Are there alternatives to 1-Methyl Adamantane (CAS: 768-91-2) in synthesis?

Several alternatives to 1-Methyl Adamantane (CAS: 768-91-2) can be used in synthesis, including other adamants like 1-Adamantanol and 1-Ethyladamantane. Isomers such as trans- and cis-1-Methyladamantane can also be considered. Common alternative reagents include methyl iodide and methyl chloride, which can be used in substitution reactions.

What is the market or research trend for 1-Methyl Adamantane (CAS: 768-91-2)?

The market for 1-Methyl Adamantane (CAS: 768-91-2) is growing due to its use in pharmaceuticals, cosmetics, and as an intermediate in the synthesis of other compounds. Research trends are focusing on its potential applications in drug discovery, particularly in pain management and anti-inflammatory treatments. Additionally, there is increasing interest in its use in the formulation of personal care products.

How should waste containing 1-Methyl Adamantane (CAS: 768-91-2) be handled?

Waste containing 1-Methyl Adamantane (CAS: 768-91-2) should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of according to local regulations, typically through incineration or professional waste disposal services. Environmental protection measures include ensuring that no spills occur and that all waste is properly encapsulated to prevent leaks. Compliance with all regulatory requirements is essential.