2-Adamantanone

Basic Information

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CAS Number

700-58-3

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

256-258 °C (subl.)

Boiling Point

211.78°C (rough estimate)

Density

0.8709 (rough estimate)

Flash Point

95.7℃

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.4993 (estimate)

SMILES

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C1C2CC3CC1CC(C2)C3=O

InChI

InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChIKey

IYKFYARMMIESOX-UHFFFAOYSA-N

LogP

2.0116

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

177

Safety Information

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GHS Hazard Pictograms

H402

Hazard Statement

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Storage Conditions

2-8℃

Synonyms & References

English

UNII-UI7W503L08
FT-0600862
700-58-3
PS-3002
A0719
2-Adamantanone, Vetec(TM) reagent grade, 98%
(1r,3r,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-2-one
STR01057
CS-W019662
SCHEMBL71132
AC7531
Q27093191
SCHEMBL4721541
Tricyclo(3.3.1.13,7)decan-2-one
NSC 126345
Tricyclo[3.3.1.13,7]decan-2-one
NSC126345
Q-200226
Tricyclo[3.3.1.13,7]decanone
SCHEMBL14791313
AC-16093
Adamantanone
2-Adamantone
CHEBI:40611
Adamantan-2-one
Tricyclo(3.3.1.13,7)decanone
tricyclo[3.3.1.1(3,7)]decan-2-one
tricyclo[3.3.1.13,7 ]decan-2-one
SCHEMBL14094609
EN300-16796
F0001-1816

MDL Number

MFCD00074737

Customs Code

29142900

FAQ

What is 2-Adamantanone (CAS: 700-58-3)?

2-Adamantanone is a cyclic ketone with the chemical formula C10H18O. It is characterized by a highly branched, three-dimensional structure known as the adamantane framework, which contributes to its stability and unique physical properties. This compound is known for its low solubility in water and high solubility in organic solvents, making it useful in various chemical applications.

What are the main uses of 2-Adamantanone (CAS: 700-58-3)?

2-Adamantanone is widely used in the pharmaceutical industry as a building block for drug synthesis, particularly in the development of antipsychotics and anti-inflammatory agents. It also finds applications in organic chemistry research, fragrance compounds, and as a solvent in specialized industrial processes due to its stability and low reactivity.

Is 2-Adamantanone (CAS: 700-58-3) safe?

2-Adamantanone is generally considered safe when handled properly, but it should be treated with caution. It is classified as a low hazard chemical, though inhalation or skin contact may cause irritation. Safety data sheets recommend using protective gloves, goggles, and ensuring adequate ventilation to minimize exposure risks.

How should 2-Adamantanone (CAS: 700-58-3) be stored?

2-Adamantanone should be stored in a cool, dry, and well-ventilated area, away from light and heat sources. It is typically kept in a sealed container made of glass or high-density polyethylene to prevent contamination and evaporation. Maintaining a storage temperature below 25°C and avoiding humidity is crucial for its stability and shelf life.