(1S,2S)-trans-1,2-Cyclohexanediol - ≥99% , CAS No.57794-08-8

CAS: 57794-08-8 Cat. No.: I171071 Summenformel: C₆H₁₂O₂ Molekulargewicht: 116.16 Beilstein Registry Number: 1901340 EG-Nummer: 625-666-5

GRADE & PURITY ≥99%

Synonyms

AKOS016038175 | (1S)-trans-1,2-Cyclohexanediol | 1,2-trans-Cyclohexanediol | (1S,2S)-trans-1,2-Cyclohexanediol, 99% | NSC 60116 | 1,2-Cyclohexanediol, (1S,2S)- | AS-77640 | FEMA No. 4507 | UNII-3RX9RD438J | EN300-177050 | (1S,2S)-trans-1,2-Cyclohexanediol

Storage

Room temperature

Shipped In

Normal

Übersicht

(1S,2S)-trans-1,2-Cyclohexanediol may be used in the preparation of (1S,2S)-1,2-cyclohexanediyl bis(4-vinylbenzoate) by reacting with 4-vinylbenzoyl chloride. It may also be used as a chiral ligand for the preparation of non-racemic hydroxy phosphonates via titanium alkoxide-catalyzed addition of dimethyl phosphite to the corresponding aldehydes.

Specifications

Synonyme

AKOS016038175 | (1S)-trans-1,2-Cyclohexanediol | 1,2-trans-Cyclohexanediol | (1S,2S)-trans-1,2-Cyclohexanediol, 99% | NSC 60116 | 1,2-Cyclohexanediol, (1S,2S)- | AS-77640 | FEMA No. 4507 | UNII-3RX9RD438J | EN300-177050 | (1S,2S)-trans-1,2-Cyclohexanediol

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504764692

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764692

Kanonisches Lächeln

C1CCC(C(C1)O)O

IUPAC Name

(1S,2S)-cyclohexane-1,2-diol

InChIKey

PFURGBBHAOXLIO-WDSKDSINSA-N

INCHI

1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1

Isomere SMILES

C1CC[C@@H]([C@H](C1)O)O

WGK Deutschland

3

Molekulargewicht

116.16

Beilstein

1901340

Reaxy-Rn

2036627

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036627&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 273.2 °F
• Flammpunkt (°C): 134 °C
• Schmelzpunkt (°C): 107-109 °C
• Molekulargewicht: 116.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% 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 57794-08-8, the molecular formula is C6H12O2, and the molecular weight is 116.16 g/mol. InChIKey PFURGBBHAOXLIO-WDSKDSINSA-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.