Dipropyl Malonate - ≥98%(GC) , CAS No.1117-19-7

CAS: 1117-19-7 Cat. No.: D155386 Summenformel: C₉H₁₆O₄ Molekulargewicht: 188.22 Beilstein Registry Number: 2(3)1619 EG-Nummer: 678-589-4

GRADE & PURITY ≥98%(GC)

Synonyms

LWIWFCDNJNZEKB-UHFFFAOYSA-N | Dipropylmalonate | Q63409552 | Dipropyl malonate | DTXSID90333753 | M0034 | SCHEMBL240282 | dipropyl propanedioate | Di-n-propyl malonate | Dipropyl malonate, AldrichCPR | MFCD00059406 | AKOS005207016 | malonic acid di-n-prop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

LWIWFCDNJNZEKB-UHFFFAOYSA-N | Dipropylmalonate | Q63409552 | Dipropyl malonate | DTXSID90333753 | M0034 | SCHEMBL240282 | dipropyl propanedioate | Di-n-propyl malonate | Dipropyl malonate, AldrichCPR | MFCD00059406 | AKOS005207016 | malonic acid di-n-prop

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488189984
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189984
• Kanonisches Lächeln: CCCOC(=O)CC(=O)OCCC
• IUPAC Name: dipropyl propanedioate
• InChIKey: LWIWFCDNJNZEKB-UHFFFAOYSA-N
• INCHI: 1S/C9H16O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-7H2,1-2H3
• Isomere SMILES: CCCOC(=O)CC(=O)OCCC
• Molekulargewicht: 188.22
• Beilstein: 2(3)1619
• Reaxy-Rn: 1707420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707420&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.42
• Flammpunkt (°F): 100°C(lit.)
• Flammpunkt (°C): 100°C(lit.)
• Siedepunkt (°C): 229 °C
• Schmelzpunkt (°C): -77°C(lit.)
• Molekulargewicht: 188.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.105 Da
• Monoisotopic Mass: 188.105 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 147.000
• 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

Häufig gestellte Fragen

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

This product is supplied at ≥98% 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.

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 1117-19-7, the molecular formula is C9H16O4, and the molecular weight is 188.22 g/mol. InChIKey LWIWFCDNJNZEKB-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.