Triallyl Citrate - ≥90%(GC) , CAS No.6299-73-6

CAS: 6299-73-6 Cat. No.: T162572 Summenformel: C₁₅H₂₀O₇ Molekulargewicht: 312.32 Beilstein Registry Number: 3(3)1105 PubChem CID: 80534

GRADE & PURITY ≥90%(GC)

Synonyms

triallylcitrat | MFCD00059327 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester | NSC45001 | NSC-45001 | 1,3-Propanetricarboxylic acid, 2-hydroxy-, tri-2-propenyl ester | DTXSID4064212 | 1,2,3-Propanetricarboxylic acid, 2-hydrox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

triallylcitrat | MFCD00059327 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester | NSC45001 | NSC-45001 | 1,3-Propanetricarboxylic acid, 2-hydroxy-, tri-2-propenyl ester | DTXSID4064212 | 1,2,3-Propanetricarboxylic acid, 2-hydrox

Spezifikationen & Reinheit

≥90%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥90%(GC)

Namen und Kennungen

Pubchem Sid

488185878

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185878

Kanonisches Lächeln

C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O

IUPAC Name

tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

PLCFYBDYBCOLSP-UHFFFAOYSA-N

INCHI

1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2

Isomere SMILES

C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O

PubChem CID

80534

Molekulargewicht

312.32

Beilstein

3(3)1105

Reaxy-Rn

1729441

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Fatty acid esters Tertiary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Tertiary alcohol - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

• Brechungsindex: 1.47
• Flammpunkt (°C): 108 °C
• Siedepunkt (°C): 208°C/12mmHg(lit.)
• Molekulargewicht: 312.310 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 312.121 Da
• Monoisotopic Mass: 312.121 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 413.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ≥90% 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.

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 6299-73-6, the molecular formula is C15H20O7, and the molecular weight is 312.32 g/mol. InChIKey PLCFYBDYBCOLSP-UHFFFAOYSA-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.