Dibutyl Malonate - ≥99%(GC) , CAS No.1190-39-2

CAS: 1190-39-2 Cat. No.: D154198 Formule: C₁₁H₂₀O₄ Poids moléculaire: 216.28 Beilstein Registry Number: 2(4)1884

GRADE & PURITY ≥99%(GC)

Synonyms

NSC 27807 | NFKGQHYUYGYHIS-UHFFFAOYSA- | Tox21_300013 | MFCD00053795 | AKOS024390672 | FT-0660010 | InChI=1/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3 | FT-0633439 | Pivaldion [Italian] | DTXSID30152288 | di-n-Butyl malonate | A804190 | BA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC 27807 | NFKGQHYUYGYHIS-UHFFFAOYSA- | Tox21_300013 | MFCD00053795 | AKOS024390672 | FT-0660010 | InChI=1/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3 | FT-0633439 | Pivaldion [Italian] | DTXSID30152288 | di-n-Butyl malonate | A804190 | BA

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

488187916

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187916

Sourires canoniques

CCCCOC(=O)CC(=O)OCCCC

IUPAC Name

dibutyl propanedioate

InChIKey

NFKGQHYUYGYHIS-UHFFFAOYSA-N

INCHI

1S/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3

Isomères SMILES

CCCCOC(=O)CC(=O)OCCCC

Poids moléculaire

216.28

Beilstein

2(4)1884

Reaxy-Rn

1780137

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'ébullition (°C): 251°C
• Poids moléculaire: 216.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% 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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1190-39-2, the molecular formula is C11H20O4, and the molecular weight is 216.28 g/mol. InChIKey NFKGQHYUYGYHIS-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.