(S)-(−)-1,2-Dodecanediol - ≥99% , CAS No.85514-85-8

CAS: 85514-85-8 Cat. No.: S474416 Summenformel: CH₃(CH₂)₉CH(OH)CH₂OH Molekulargewicht: 202.33

GRADE & PURITY ≥99%

Synonyms

ZITKDVFRMRXIJQ-LBPRGKRZSA-N | DTXSID20369964 | (2S)-dodecane-1,2-diol | (S)-Dodecane-1,2-diol | SCHEMBL5894887 | AKOS017343243 | (S)-(-)-1,2-Dodecanediol, 99% | (S)-1,2-DODECANEDIOL | (S)-(-)-1,2-Dodecanediol

Storage

Room temperature

Specifications

Synonyme

ZITKDVFRMRXIJQ-LBPRGKRZSA-N | DTXSID20369964 | (2S)-dodecane-1,2-diol | (S)-Dodecane-1,2-diol | SCHEMBL5894887 | AKOS017343243 | (S)-(-)-1,2-Dodecanediol, 99% | (S)-1,2-DODECANEDIOL | (S)-(-)-1,2-Dodecanediol

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCCCCCC(CO)O
• IUPAC Name: (2S)-dodecane-1,2-diol
• InChIKey: ZITKDVFRMRXIJQ-LBPRGKRZSA-N
• INCHI: 1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3/t12-/m0/s1
• Isomere SMILES: CCCCCCCCCC[C@@H](CO)O
• WGK Deutschland: 3
• Molekulargewicht: 202.33
• Reaxy-Rn: 1700179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

• Molekulargewicht: 202.330 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193 Da
• Monoisotopic Mass: 202.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 104.000
• 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

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.

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

The CAS Number is 85514-85-8, the molecular formula is CH3(CH2)9CH(OH)CH2OH, and the molecular weight is 202.33 g/mol. InChIKey ZITKDVFRMRXIJQ-LBPRGKRZSA-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.