Cyclopentanol - ≥99% , CAS No.96-41-3

CAS: 96-41-3 Cat. No.: C110398 Formula: C₅H₁₀O Molecular Weight: 86.13 Beilstein Registry Number: 6,5 EC Number: 202-504-8

GRADE & PURITY ≥99%

Synonyms

FT-0624258 | EN300-19348 | NCGC00257663-01 | UNII-1L43Q07TBU | NSC 49117 | EINECS 202-504-8 | YEG | C02020 | EC 202-504-8 | Tox21_303563 | HMS3039M14 | Cyclopentanol [UN2244] [Flammable liquid] | STL280357 | CAS-96-41-3 | CYCLOPENTANOL | STR07441 | DTXSI

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Application：

Cyclopentanol can be used as:
An alkylating agent in the preparation of alkylated aromatic compounds using Fe3+-montmorillonite catalyst via Friedel–Crafts alkylation reaction.
A reactant in the acylation of alcohols with an acid anhydride or acid chloride.
A substrate in the synthesis of high-density polycyclic aviation fuel by the Guerbet reaction.

Specifications

Synonyms

FT-0624258 | EN300-19348 | NCGC00257663-01 | UNII-1L43Q07TBU | NSC 49117 | EINECS 202-504-8 | YEG | C02020 | EC 202-504-8 | Tox21_303563 | HMS3039M14 | Cyclopentanol [UN2244] [Flammable liquid] | STL280357 | CAS-96-41-3 | CYCLOPENTANOL | STR07441 | DTXSI

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

508814753

Canonical Smiles

C1CCC(C1)O

IUPAC Name

cyclopentanol

InChIKey

XCIXKGXIYUWCLL-UHFFFAOYSA-N

INCHI

1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2

Isomeric SMILES

C1CCC(C1)O

WGK Germany

1

UN Number

2244

Packing Group

III

Molecular Weight

86.13

Beilstein

6,5

Reaxy-Rn

1900556

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• External Descriptors: a small molecule

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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Associated Targets(non-human)

Plasmodium falciparum (966862 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: Slightly soluble in water. Also soluble in ether, alcohols and acetone.
• Refractive Index: 1.453
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 51℃
• Boil Point(°C): 140.85°C
• Melt Point(°C): -19°C
• Molecular Weight: 86.130 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 37.200
• 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