cis-1,2-Cyclopentanediol - ≥98% , CAS No.5057-98-7

CAS: 5057-98-7 Cat. No.: I170645 Formule: C₅H₈(OH)₂ Poids moléculaire: 102.13 Numéro CE: 973-854-3

GRADE & PURITY ≥98%

Synonyms

Q27451766 | cis-1,2-Cyclopentanediol | cis-1,2-cyclopen-tanediol | (1S,2R)-cyclopentane-1,2-diol | rel-(1R,2S)-1,2-Cyclopentanediol | cis-1,2-cyclopentandiol | cis-1,2-Cyclopentanediol, 98% | 1,2-Cyclopentanediol, (1R,2S)- | Cis-Cyclopenten-1,2-diol | (1R

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Q27451766 | cis-1,2-Cyclopentanediol | cis-1,2-cyclopen-tanediol | (1S,2R)-cyclopentane-1,2-diol | rel-(1R,2S)-1,2-Cyclopentanediol | cis-1,2-cyclopentandiol | cis-1,2-Cyclopentanediol, 98% | 1,2-Cyclopentanediol, (1R,2S)- | Cis-Cyclopenten-1,2-diol | (1R

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488192378

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192378

Sourires canoniques

C1CC(C(C1)O)O

IUPAC Name

(1S,2R)-cyclopentane-1,2-diol

InChIKey

VCVOSERVUCJNPR-SYDPRGILSA-N

INCHI

1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+

Isomères SMILES

C1C[C@H]([C@H](C1)O)O

Poids moléculaire

102.13

Reaxy-Rn

2036465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036465&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Cyclic alcohols and derivatives 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - 1,2-diol - 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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°C): ＞110℃
• Point d'ébullition (°C): 108-109 °C/20 mmHg (lit.)
• Point de fusion (°C): 24-28 °C
• Poids moléculaire: 102.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 55.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5057-98-7, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey VCVOSERVUCJNPR-SYDPRGILSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.