Dodecanedioic acid - 10mM in DMSO , CAS No.693-23-2

CAS: 693-23-2 Cat. No.: D425554 Peso molecular: 230.3 Beilstein Registry Number: 1782580 Número EC: 211-746-3

GRADE & PURITY 10mM in DMSO

Synonyms

1,12-Dodecanedioic-d20 Acid | HSDB 5745 | 1,10-Decanedicarboxylic acid | LMFA01170009 | Dodecanedioic acid, 99% | n-Dodecane-a,w-dioic acid | n-Dodecanedioate | SB74075 | Decamethylenedicarboxylate | n-Dodecanedioic acid | Q5287812 | 1,10-Dicarboxydecane

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Molar burning heat: 6.740MJ/mol. Low solubility in water: < 0.1 g/l (20 C). Good thermal stability.
It is applied to polyamide/polyamide resin, metal processing liquid corrosion inhibitor, hot melt, powder coating, lubricants, spices and so on.

Specifications

Sinónimos

1, 12-Dodecanedioic-d20 Acid | HSDB 5745 | 1, 10-Decanedicarboxylic acid | LMFA01170009 | Dodecanedioic acid, 99% | n-Dodecane-a, w-dioic acid | n-Dodecanedioate | SB74075 | Decamethylenedicarboxylate | n-Dodecanedioic acid | Q5287812 | 1, 10-Dicarboxydecane

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C(CCCCCC(=O)O)CCCCC(=O)O
• IUPAC Name: dodecanedioic acid
• InChIKey: TVIDDXQYHWJXFK-UHFFFAOYSA-N
• INCHI: 1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
• Isómeros SMILES: C(CCCCCC(=O)O)CCCCC(=O)O
• RTECS: JR2370000
• Peso molecular: 230.3
• Beilstein: 1782580
• Reaxy-Rn: 1782580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782580&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: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: an α ω dicarboxylate

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

Propiedades químicas y físicas

• Punto de inflamación (°F): 428 °F
• Punto de inflamación (°C): 220 °C
• Punto de ebullición (°C): 245°C
• Punto de fusión (°C): 129°C
• Peso molecular: 230.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 230.152 Da
• Monoisotopic Mass: 230.152 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• 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

Referencias

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