Methyl (3s,5s,7s)-1-adamantanecarboxylate

Basic Information

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CAS Number

711-01-3

Molecular Formula

C12H18O2

Molecular Weight

194.27 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

Melting Point

35.0 to 39.0 deg-C

Boiling Point

79°C/1mmHg

Density

1.13

Flash Point

246.1 °C at 760 mmHg

Refractive Index

1.529

SMILES

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COC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3/t8-,9+,10-,12-

InChIKey

CLYOOVNORYNXMD-GOCCLTDMSA-N

LogP

2.375800000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

228

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SR-01000396868
Methyl 1-Adamantanecarboxylate
F15468
Adamantan-1-carboxylic acid, methyl ester
ChemDiv1_019411
HMS642C07
methyl adamantane-1-carboxylate
AE-641/01648019
AKOS001482980
Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, methyl ester
1-Adamantanecarboxylic acid, methyl ester
711-01-3
AKOS006276254
CS-W010647
adamantan-1-carboxylic acid methyl ester
DS-3890
SCHEMBL905300
Adamantane-1-Carboxylic Acid Methyl Ester
1-Adamantanecarboxylic Acid Methyl Ester
1-Adamantylcarboxylic acid methyl ester
1-methoxycarbonyladamantane
Methyl-1-adamantanecarboxylate
MFCD01838519
methyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Methyl 1-Adamantylcarboxylate
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, methyl ester
FT-0658789
DTXSID80221317
A837076
SR-01000396868-1
AKOS005429959

MDL Number

MFCD01838519

Customs Code

2916209090

FAQ

What is Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3)?

Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) is a chemical compound with a complex structure. It is derived from adamantane and contains a methyl group attached to the 1-position of the adamantane ring. This compound is characterized by its stability and unique physical properties, making it useful in various applications.

What are the main uses of Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3)?

Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) is primarily used in pharmaceuticals and research for its chemical properties. It is also utilized in the formulation of certain organic compounds and as a reagent in organic synthesis. Its versatile nature makes it suitable for various industrial applications.

Is Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) safe?

Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) is generally safe when handled properly. However, as with any chemical, it is important to follow all safety guidelines, including proper ventilation, use of personal protective equipment (PPE), and adherence to storage recommendations. Immediate medical attention should be sought if exposure occurs.

How should Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) be stored?

Methyl (3s,5s,7s)-1-adamantanecarboxylate (CAS: 711-01-3) should be stored in a cool, dry place away from heat and direct sunlight. It is recommended to keep it in a tightly sealed container to prevent degradation. Ideally, the storage temperature should be maintained between 15°C and 25°C, with a maximum relative humidity of 60%. Ensure the container is properly labeled and stored in a secure area to prevent accidental exposure or contamination.