1-Adamantanecarboxylic acid

Basic Information

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CAS Number

828-51-3

Molecular Formula

C11H16O2

Molecular Weight

180.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

173.0 to 177.0 deg-C

Boiling Point

304.7°C at 760 mmHg

Density

0.9976 (rough estimate)

Water Solubility

Insoluble in water. Solubility in methanol gives very faint turbidity. Soluble in ethanol, chloroform, and dichloromethane.

Flash Point

142℃

Refractive Index

1.4910 (estimate)

SMILES

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C1C2CC3CC1CC(C2)(C3)C(=O)O

InChI

InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

LogP

2.2874000000000008

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

216

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(3R,5S,7s)-adamantane-1-carboxylic acid
Tricyclo[3.3.1.1<3,7>]-decane-1-carboxylic acid
BDBM50111977
Adamantanecarboxylic acid
A0742
InChI=1/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13
MFCD00074720
AKOS005198690
1-Carboxyadamantane
AI3-52431
1-Adamantoic Acid
1-Adamantanecarboxylic Acid (purified by sublimation)
BP-10550
CHEMBL5186120
FS-2534
DTXSID40870784
HMS1395K14
NSC 193481
EN300-16776
AM20090817
CHEMBL170568
Oprea1_849468
FT-0607296
Tricyclo[3.3.1.13,7]-decane-1-carboxylic acid
NSC 94182
P21153
1-admantanecarboxylic acid
2-Adamantane-1-carboxylic acid
EINECS 212-584-6
NSC-94182
NSC94182

MDL Number

MFCD00074720

Customs Code

2916209090

FAQ

What is 1-Adamantanecarboxylic acid (CAS: 828-51-3)?

1-Adamantanecarboxylic acid is a cyclic organic compound with the chemical formula C10H16O2. It belongs to the class of carboxylic acids and is characterized by its adamantane ring structure, which provides unique physical and chemical stability. This compound is known for its low solubility in water and high melting point, making it useful in various specialized applications.

What are the main uses of 1-Adamantanecarboxylic acid (CAS: 828-51-3)?

1-Adamantanecarboxylic acid is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of anti-cancer agents and other bioactive compounds. It also finds applications in organic synthesis, materials science, and as a reagent in chemical research due to its structural versatility and stability.

Is 1-Adamantanecarboxylic acid (CAS: 828-51-3) safe?

1-Adamantanecarboxylic acid is generally considered safe when handled properly, but it should be treated with caution as it may cause skin and eye irritation. Safety data sheets recommend using protective gloves, goggles, and proper ventilation. It is not classified as highly toxic, but adherence to standard chemical safety protocols is essential for safe handling and disposal.

How should 1-Adamantanecarboxylic acid (CAS: 828-51-3) be stored?

1-Adamantanecarboxylic acid should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is typically kept in a sealed container made of glass or polyethylene to prevent degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure long-term stability and safety.