Dimethyl succinate - CP, ≥98% , CAS No.106-65-0

CAS: 106-65-0 Cat. No.: D103952 Fórmula: C₆H₁₀O₄ Peso molecular: 146.14 Beilstein Registry Number: 956776 Número EC: 203-419-9

CALIDAD & PUREZA CP, ≥98%

Synonyms

NCGC00091530-01 | Succinic acid-dimethyl ester | CCRIS 4803 | UNII-914I2127JR | 914I2127JR | Dimethyl butanedioate | DBE-4 dibasic ester | MLS002454400 | EN300-113007 | FT-0621972 | Dimethyl succinate, 98%, FG | Dimethyl succinate, purum, >=98.0% (GC) | S

Storage

Room temperature

Shipped In

Normal

Descripción general

Dimethyl succinate can be used as a flavoring agent in the food industry.

Especificaciones

Sinónimos

NCGC00091530-01 | Succinic acid-dimethyl ester | CCRIS 4803 | UNII-914I2127JR | 914I2127JR | Dimethyl butanedioate | DBE-4 dibasic ester | MLS002454400 | EN300-113007 | FT-0621972 | Dimethyl succinate, 98%, FG | Dimethyl succinate, purum, >=98.0% (GC) | S

Especificaciones y pureza

CP, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

CP

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508814771

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814771

Sonrisas canónicas

COC(=O)CCC(=O)OC

IUPAC Name

dimethyl butanedioate

InChIKey

MUXOBHXGJLMRAB-UHFFFAOYSA-N

INCHI

1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

Isómeros SMILES

COC(=O)CCC(=O)OC

WGK Alemania

1

RTECS

WM7675000

Número ONU

1993

Grupo de embalaje

I

Peso molecular

146.14

Beilstein

956776

Reaxy-Rn

956776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

KDM4C Tchem Lysine-specific demethylase 4C (1129 Activities)

Discover Target: KDM4C

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

Objetivos asociados (no humanos)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water. (122,9 g/L at 20°C). soluble in acetone, ethanol, very soluble in ethyl ether.
• Punto de congelación (°C): 18 °C
• Índice de refracción: 1.4197
• Punto de inflamación (°F): 208.4℉
• Punto de inflamación (°C): 98℃
• Punto de ebullición (°C): 196.4°C
• Punto de fusión (°C): 19°C
• Peso molecular: 146.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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