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

CAS: 505-54-4 Cat. No.: H283696 Formula: C₁₆H₃₀O₄ Peso molecolare: 286.41 Beilstein Registry Number: 2733 Numero 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

Panoramica

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

Specifiche

Sinonimi

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 | Mostra altro

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

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)

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in hot Methanol almost transparency
• Punto di fusione (°C): 124°C-128°C
• Peso molecolare: 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

Domande frequenti

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.