(1R)-1-cyclohexylethanol - ≥97% , CAS No.3113-99-3

CAS: 3113-99-3 Cat. No.: C633576 Fórmula: C₈H₁₆O Peso molecular: 128.21 Número CE: 816-805-2

GRADE & PURITY ≥97%

Synonyms

1I7WE95HOJ | PS-16567 | Cyclohexanemethanol, alpha-methyl-, (alphaR)- | (R)-1-Cyclohexylethan-1-ol | AKOS011390957 | EN300-89233 | SCHEMBL1053407 | (1R)-1-cyclohexylethan-1-ol | 1-Cyclohexylethanol, (R)- | DTXSID201302413 | (R)-1-cyclohexylethanol | JMSUN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1I7WE95HOJ | PS-16567 | Cyclohexanemethanol, alpha-methyl-, (alphaR)- | (R)-1-Cyclohexylethan-1-ol | AKOS011390957 | EN300-89233 | SCHEMBL1053407 | (1R)-1-cyclohexylethan-1-ol | 1-Cyclohexylethanol, (R)- | DTXSID201302413 | (R)-1-cyclohexylethanol | JMSUN

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC(C1CCCCC1)O

IUPAC Name

(1R)-1-cyclohexylethanol

InChIKey

JMSUNAQVHOHLMX-SSDOTTSWSA-N

INCHI

1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7-/m1/s1

SMILES isoméricas

C[C@H](C1CCCCC1)O

CAS alternativo

3113-99-3

Peso molecular

128.21

Reaxy-Rn

2322053

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2322053&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Peso molecular: 128.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

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 3113-99-3, the molecular formula is C8H16O, and the molecular weight is 128.21 g/mol. InChIKey JMSUNAQVHOHLMX-SSDOTTSWSA-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.