Hexadecanedioic Acid - ≥97% , CAS No.505-54-4

CAS: 505-54-4 Cat. No.: H283696 Fórmula: C₁₆H₃₀O₄ Peso molecular: 286.41 Beilstein Registry Number: 2733 Número EC: 208-013-5

Synonyms

RF8|Thapsate|Hexadecane-1,16-dioic acid|HEXADECANEDIOICACID|Thapsic acid|a,w-Tetradecanedicarboxylic acid|Dicarboxylic acid C16|a,w-Tetradecanedicarboxylate|n-Tetradecane-w,w'-dicarboxylate|Hexadecandioic acid|Thapsic acid;Hexadecanedioate;Palmitic acid|1,14-Tetradecanedicarboxylic acid|1,16-Hexadecanedioic acid|HEXADECANEDIOIC ACID|1,14-tetradecane dicarboxylic acid|1,14-Tetradecanedicarboxylate|n-Tetradecane-w,w'-dicarboxylic acid|n-Tetradecane-.omega.,.omega.'-dicarboxylic acid|1,16-HEXADECANEDIOIC-D28 ACID|1,16-hexadecanedioate

Storage

Room temperature

Shipped In

Normal

Descripción general

It is used in long chain polyamides, lubricants, pharmaceuticals, spices, etc.

Especificaciones

Sinónimos

RF8 | Thapsate | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic acid | a,w-Tetradecanedicarboxylic acid | Dicarboxylic acid C16 | a,w-Tetradecanedicarboxylate | n-Tetradecane-w,w'-dicarboxylate | Hexadecandioic acid | Thapsic acid;Hexadecanedioate;Palmitic acid | 1,14-Tetradecanedicarboxylic acid | 1,16-Hexadecanedioic acid | Show more

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

C(CCCCCCCC(=O)O)CCCCCCC(=O)O

IUPAC Name

hexadecanedioic acid

InChIKey

QQHJDPROMQRDLA-UHFFFAOYSA-N

INCHI

1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

Isómeros SMILES

C(CCCCCCCC(=O)O)CCCCCCC(=O)O

WGK Alemania

3

Peso molecular

286.41

Beilstein

2733

Reaxy-Rn

1792831

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

Objetivos asociados (humanos)

CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)

Discover Target: CRABP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in hot Methanol almost transparency
• Punto de fusión (°C): 124°C-128°C
• Peso molecular: 286.410 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 286.214 Da
• Monoisotopic Mass: 286.214 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 225.000
• 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

Preguntas frecuentes

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 505-54-4, the molecular formula is C16H30O4, and the molecular weight is 286.41 g/mol. InChIKey QQHJDPROMQRDLA-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.