Dibutyl L-(+)-Tartrate - ≥98%(GC) , CAS No.87-92-3

CAS: 87-92-3 Cat. No.: D154385 Summenformel: C₁₂H₂₂O₆ Molekulargewicht: 262.3 Beilstein Registry Number: 3(4)1232

GRADE & PURITY ≥98%(GC)

Synonyms

(+)-dibutyl-l-tartrate | AKOS016004480 | L-(+)-Tartaric Acid Dibutyl Ester | L(+)-tartaric acid dibutyl ester | L-(+)-Tartaric acid di-n-butyl ester | T0005 | DIBUTYL (+)-L-TARTRATE | Dibutyl L-(+)-Tartrate | DTXSID10883265 | UNII-2D1V32IF1E | (+)-TARTARI

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

(+)-dibutyl-l-tartrate | AKOS016004480 | L-(+)-Tartaric Acid Dibutyl Ester | L(+)-tartaric acid dibutyl ester | L-(+)-Tartaric acid di-n-butyl ester | T0005 | DIBUTYL (+)-L-TARTRATE | Dibutyl L-(+)-Tartrate | DTXSID10883265 | UNII-2D1V32IF1E | (+)-TARTARI

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488180200

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180200

Kanonisches Lächeln

CCCCOC(=O)C(C(C(=O)OCCCC)O)O

IUPAC Name

dibutyl (2R,3R)-2,3-dihydroxybutanedioate

InChIKey

PCYQQSKDZQTOQG-NXEZZACHSA-N

INCHI

1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1

Isomere SMILES

CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O

Alternative CAS-Nummer

15763-01-6

Molekulargewicht

262.3

Beilstein

3(4)1232

Reaxy-Rn

1797745

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1797745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid esters Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters 1,2-diols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Monosaccharide - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

• Empfindlichkeit: Air sensitive
• Spezifische Drehung [α]: +11.0 to +14.0 deg(C=5, EtOH)
• Flammpunkt (°F): 160°C(lit.)
• Flammpunkt (°C): 160°C(lit.)
• Molekulargewicht: 262.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 262.142 Da
• Monoisotopic Mass: 262.142 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 227.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 87-92-3, the molecular formula is C12H22O6, and the molecular weight is 262.3 g/mol. InChIKey PCYQQSKDZQTOQG-NXEZZACHSA-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.