Ethyl 1-Adamantanecarboxylate

Basic Information

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CAS Number

2094-73-7

Molecular Formula

C13H20O2

Molecular Weight

208.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

123°C/9mmHg

Density

1.106

Flash Point

90-91°C/1mm

Refractive Index

1.4890

SMILES

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O=C(C12CC3CC(C2)CC(C3)C1)OCC

InChI

InChI=1S/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3

InChIKey

SYEXGNJRYPOUSI-UHFFFAOYSA-N

LogP

2.765900000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

241

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl adamantane-1-carboxylate
Adamantane-1-carboxylic acid ethyl ester
Ethyl 1-Adamantanecarboxylate
1-Adamantylcarboxylic Acid Ethyl Ester
1-Adamantanecarboxylic Acid Ethyl Ester
1-ethoxycarbonyladamantane
ethyl adamantan-1-carboxylate
ethyl adamantyl-1-carboxylate
tricyclo(3.3.1.1'3,7)decan-1-carboxylic acid ethyl ester
Tricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid,ethyl ester
Ethyl tricyclo[3.3.1.13,7]decane-1-carboxylate
Ethyl tricyclo[3.3.1.1(3,7)]decane-1-carboxylate
Ethyladamantane-1-carboxylate
SYEXGNJRYPOUSI-UHFFFAOYSA-N
Tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, ethyl ester
Ethyl tricyclo(3.3.1.13,7)decane-1-carboxylate
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, ethyl ester
Tricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid, ethyl ester
PubChem8778
1-ethoxycarbonylada

MDL Number

MFCD00078272

Customs Code

2916209090

FAQ

What is Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7)?

Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) is an organic compound characterized by its ester functional group attached to the 1-position of adamantane. It has a melting point of approximately 83-84°C and is miscible with common organic solvents.

What are the main uses of Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7)?

Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) is primarily used in the pharmaceutical industry as a building block for the synthesis of various drugs. It is also utilized in the production of surfactants and in research applications due to its unique chemical structure.

Is Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) safe?

Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) is generally considered safe under normal handling conditions. However, it should be used with caution to avoid skin contact and inhalation. Proper personal protective equipment (PPE) and safety guidelines should be followed.

How should Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) be stored?

Ethyl 1-Adamantanecarboxylate (CAS: 2094-73-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a sealed container to prevent moisture absorption. Avoid contact with incompatible materials and ensure good ventilation during storage.