adamantane-1,3-diol

Basic Information

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CAS Number

5001-18-3

Molecular Formula

C10H16O2

Molecular Weight

168.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

258°C

Boiling Point

320.4℃ at 760 mmHg

Density

1.0000

Flash Point

158.5ºC

Refractive Index

1.656

SMILES

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OC1(CC2CC3C1)CC(O)(C2)C3

InChI

InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2

InChIKey

MOLCWHCSXCKHAP-UHFFFAOYSA-N

LogP

1.0624

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

190

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,3-Adamantanediol
1,3-Dihydroxyadamantane
1,3-ADAMANTANDIOL
ADAMANTANE-1,3-DIOL
AKOS BC-0470
TRICYCLO[3.3.1.13,7]DECANE-1,3-DIOL
1,3-Admantane-dimethanol
1,3-ADMANTANE
1,3-ADAMANTANEDIMETHANOL
1,3-Adamantanediol(6CI,7CI,8CI)
1,3-Dihydroxy admantane
Tricyclo[3.3.1.13,7]decane-1,3-diol
(1s,3s,5s,7s)-adamantane-1,3-diol

MDL Number

MFCD00154013

Customs Code

2906199090

FAQ

What is adamantane-1,3-diol (CAS: 5001-18-3)?

Adamantane-1,3-diol (CAS: 5001-18-3) is a bicyclic organic compound with the chemical formula C10H16O2. It features a rigid adamantane framework with hydroxyl groups at positions 1 and 3, making it a versatile intermediate in chemical synthesis. The compound is a white crystalline solid, slightly soluble in water but soluble in organic solvents like ethanol. It exhibits stability under standard conditions and is commonly used in research and industrial applications due to its unique structural properties.

What are the main uses of adamantane-1,3-diol (CAS: 5001-18-3)?

Adamantane-1,3-diol (CAS: 5001-18-3) is primarily used in pharmaceutical research as a precursor for antiviral and antifungal drug development. It also serves in organic synthesis to create complex molecules, including polymers and pharmaceutical intermediates. Additionally, it finds applications in material science for functional coatings and in chemical research for studying stereochemistry and reaction mechanisms.

Is adamantane-1,3-diol (CAS: 5001-18-3) safe?

Adamantane-1,3-diol (CAS: 5001-18-3) is generally considered safe when handled properly, but it may cause mild irritation to skin or eyes. Safety data sheets (SDS) recommend using protective gloves, goggles, and ensuring adequate ventilation during handling. It is not classified as highly toxic, but standard lab safety protocols should be followed to minimize exposure risks.

How should adamantane-1,3-diol (CAS: 5001-18-3) be stored?

Adamantane-1,3-diol (CAS: 5001-18-3) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container to maintain stability and prevent degradation. It is compatible with standard chemical storage conditions but should be stored separately from strong oxidizers or incompatible substances to ensure safety.