1-Adamantanol - ≥99%, used for 1-Adamantanol was used in the preparation of 1,3-adamantanediol. It is used in the manufacture of synthetic adamantane derivatives and adapalene. various applications , CAS No.768-95-6

CAS: 768-95-6 Cat. No.: A118555 Formula: C₁₀H₁₆O Molecular Weight: 152.23 Beilstein Registry Number: 1903952 EC Number: 212-202-8

GRADE & PURITY ≥99%

Synonyms

DTXSID10227620 | hydroxyadamantane | Tricyclo[3.3.1.1(3,7)]decan-1-ol | A0939 | Tricyclo(3.3.1.1(3,7))-n-decanol | BBL033940 | EN300-16775 | SCHEMBL148421 | NSC91633 | NSC-91633 | 1-Adamantol | AKOS000264926 | UNII-P9J0B0C8ZB | AC-16092 | Adamantol-(1) |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID10227620 | hydroxyadamantane | Tricyclo[3.3.1.1(3,7)]decan-1-ol | A0939 | Tricyclo(3.3.1.1(3,7))-n-decanol | BBL033940 | EN300-16775 | SCHEMBL148421 | NSC91633 | NSC-91633 | 1-Adamantol | AKOS000264926 | UNII-P9J0B0C8ZB | AC-16092 | Adamantol-(1) |

Specifications & Purity

≥99%

Application

1-Adamantanol was used in the preparation of 1,3-adamantanediol. It is used in the manufacture of synthetic adamantane derivatives and adapalene.

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504753908

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753908

Canonical Smiles

C1C2CC3CC1CC(C2)(C3)O

IUPAC Name

adamantan-1-ol

InChIKey

VLLNJDMHDJRNFK-UHFFFAOYSA-N

INCHI

1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)O

WGK Germany

3

RTECS

AU4980000

Molecular Weight

152.23

Beilstein

1903952

Reaxy-Rn

1903952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol , methanol, and diethyl ether. Partly miscible in water.
• Melt Point(°C): 240°C
• Molecular Weight: 152.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1