trans-cyclopentane-1,3-diol - ≥97% , CAS No.16326-98-0

CAS: 16326-98-0 Cat. No.: T629959 Formula: C₅H₁₀O₂ Peso molecolare: 102.13

GRADE & PURITY ≥97%

Synonyms

EN300-7168021 | (E)-1,3-Cyclopentanediol | P18410 | (1R,3R)-cyclopentane-1,3-diol | trans-cyclopentane-1,3-diol | NUUPJBRGQCEZSI-RFZPGFLSSA-N | EN300-704229 | SCHEMBL2666636 | trans-cyclopentane-1,3-diol-C20800 | 1932191-74-6 | AS-83864 | MFCD13619672 | r

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EN300-7168021 | (E)-1,3-Cyclopentanediol | P18410 | (1R,3R)-cyclopentane-1,3-diol | trans-cyclopentane-1,3-diol | NUUPJBRGQCEZSI-RFZPGFLSSA-N | EN300-704229 | SCHEMBL2666636 | trans-cyclopentane-1,3-diol-C20800 | 1932191-74-6 | AS-83864 | MFCD13619672 | r

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1CC(CC1O)O

IUPAC Name

(1R,3R)-cyclopentane-1,3-diol

InChIKey

NUUPJBRGQCEZSI-RFZPGFLSSA-N

INCHI

1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m1/s1

Isomeri SMILES

C1C[C@H](C[C@@H]1O)O

CAS alternativo

16326-98-0

Peso molecolare

102.13

Reaxy-Rn

2424442

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2424442&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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 102.130 g/mol
• XLogP3: -0.200
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% 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 16326-98-0, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey NUUPJBRGQCEZSI-RFZPGFLSSA-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.