Dipropyl Adipate - ≥98%(GC) , CAS No.106-19-4

CAS: 106-19-4 Cat. No.: D154145 Formule: C₁₂H₂₂O₄ Poids moléculaire: 230.3 Beilstein Registry Number: 2(4)1961 Numéro CE: 203-371-9

GRADE & PURITY ≥98%(GC)

Synonyms

NSC 4894 | AKOS015839643 | Adipic acid, dipropyl ester | W-109391 | Adipic acid, di-n-propyl ester | MFCD00048696 | Di-n-propyl adipate | Z1137991854 | NSC4894 | NSC-4894 | NCGC00255066-01 | D88357 | NKOUWLLFHNBUDW-UHFFFAOYSA-N | NCGC00248313-01 | Q272925

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC 4894 | AKOS015839643 | Adipic acid, dipropyl ester | W-109391 | Adipic acid, di-n-propyl ester | MFCD00048696 | Di-n-propyl adipate | Z1137991854 | NSC4894 | NSC-4894 | NCGC00255066-01 | D88357 | NKOUWLLFHNBUDW-UHFFFAOYSA-N | NCGC00248313-01 | Q272925

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488180565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180565
• Sourires canoniques: CCCOC(=O)CCCCC(=O)OCCC
• IUPAC Name: dipropyl hexanedioate
• InChIKey: NKOUWLLFHNBUDW-UHFFFAOYSA-N
• INCHI: 1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
• Isomères SMILES: CCCOC(=O)CCCCC(=O)OCCC
• RTECS: AV1740000
• Poids moléculaire: 230.3
• Beilstein: 2(4)1961
• Reaxy-Rn: 1785512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785512&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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'éclair (°F): 146°C(lit.)
• Point d'éclair (°C): 146°C
• Point d'ébullition (°C): 155°C/16mmHg(lit.)
• Poids moléculaire: 230.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 230.152 Da
• Monoisotopic Mass: 230.152 Da
• Topological Polar Surface Area: 52.600 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

Foire aux questions

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 106-19-4, the molecular formula is C12H22O4, and the molecular weight is 230.3 g/mol. InChIKey NKOUWLLFHNBUDW-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.