(1s,3s,5s)-1,3,5-Adamantanetriol

Basic Information

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CAS Number

99181-50-7

Molecular Formula

C10H16O3

Molecular Weight

184.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

339.7±37.0 °C at 760 mmHg

Density

1.606

Flash Point

168.7±21.1 °C

Refractive Index

1.749

SMILES

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C1C2CC3(CC1(CC(C2)(C3)O)O)O

InChI

InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2/t7-,8-,9+,10-

InChIKey

MCYBYTIPMYLHAK-MSLAYNRJSA-N

LogP

0.1772999999999999

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

206

Synonyms & References

English

SCHEMBL424435
DTXSID50432519
AC-32091
MFCD08276262
SY054927
AMY18477
D88466
YSZC3670
1,3,5-Adamantanetriol
CS-W017003
99181-50-7
AS-57747
Tricyclo[3.3.1.13,7]decane-1,3,5-triol
1,3,5-Tirhydroxyadamantane
AKOS015840960
1,3,5-Trihydroxyadamantane
A858491
1-Nitro-2-(2-nitrobenzyloxy)benzene
Adamantane-1,3,5-triol
MCYBYTIPMYLHAK-UHFFFAOYSA-N
6949AC
FCH1785702
AK114756
AX8163861
181A507

MDL Number

MFCD08276262

Customs Code

2906199090

FAQ

What are the physical and chemical properties of (1s,3s,5s)-1,3,5-Adamantanetriol (CAS: 99181-50-7)?

(1s,3s,5s)-1,3,5-Adamantanetriol is a colorless crystalline solid with a molecular weight of approximately 150.25 g/mol. It is sparingly soluble in water and readily soluble in organic solvents like acetone and chloroform. The compound is relatively stable under normal conditions but may react with strong acids or bases. It has a melting point of around 100-102°C and a boiling point of about 240-245°C. It is not particularly reactive but can undergo esterification and other typical organometallic reactions.

How is (1s,3s,5s)-1,3,5-Adamantanetriol (CAS: 99181-50-7) typically synthesized?

(1s,3s,5s)-1,3,5-Adamantanetriol can be synthesized through the condensation of 3,5-dihydroxy-1-cyclohexene with dihydroxybenzene under basic conditions. Common catalysts include sodium hydroxide or potassium hydroxide. The reaction typically yields high selectivity and good yield. Distillation and recrystallization are used to purify the product. This method allows for the production of the compound in a controlled and efficient manner.

What industries use (1s,3s,5s)-1,3,5-Adamantanetriol (CAS: 99181-50-7)?

(1s,3s,5s)-1,3,5-Adamantanetriol finds applications in various industries due to its unique chemical properties. It is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. In the polymer industry, it serves as a monomer for the production of special polymers. Additionally, it is used in the formulation of sensors and semiconductors, where its structural and chemical characteristics are advantageous.

What precautions should be taken when handling (1s,3s,5s)-1,3,5-Adamantanetriol (CAS: 99181-50-7)?

When handling (1s,3s,5s)-1,3,5-Adamantanetriol (CAS: 99181-50-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of spill, it should be promptly cleaned up using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures. Storage should be in a cool, dry place away from strong acids, bases, and heat sources.