1,5-Diacetoxypentane - ≥97% , CAS No.6963-44-6

CAS: 6963-44-6 Cat. No.: D404853 Summenformel: C₉H₁₆O₄ Molekulargewicht: 188.22

GRADE & PURITY ≥97%

Synonyms

1,5-Diacetoxypentane | 1,5-diacetoxy-pentane | AI3-06263 | starbld0018528 | Pentamethylene Diacetate | G4MN8HY4EY | NSC53781 | NSC-53781 | DTXSID80884345 | Pentane-1,5-diyl diacetate | NSC 53781 | PIJBVCVBCQOWMM-UHFFFAOYSA-N | 1,5-Pentanediol diacetate |

Storage

Room temperature

Specifications

Synonyme

1,5-Diacetoxypentane | 1,5-diacetoxy-pentane | AI3-06263 | starbld0018528 | Pentamethylene Diacetate | G4MN8HY4EY | NSC53781 | NSC-53781 | DTXSID80884345 | Pentane-1,5-diyl diacetate | NSC 53781 | PIJBVCVBCQOWMM-UHFFFAOYSA-N | 1,5-Pentanediol diacetate |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488185962

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185962

Kanonisches Lächeln

CC(=O)OCCCCCOC(=O)C

IUPAC Name

5-acetyloxypentyl acetate

InChIKey

PIJBVCVBCQOWMM-UHFFFAOYSA-N

INCHI

1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3

Isomere SMILES

CC(=O)OCCCCCOC(=O)C

Molekulargewicht

188.22

Reaxy-Rn

1774547

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774547&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: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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

• Siedepunkt (°C): 108 °C/6 mmHg
• Molekulargewicht: 188.220 g/mol
• XLogP3: 1.100
• 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?

This product is supplied at ≥97% purity (chemical assay). 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 6963-44-6, the molecular formula is C9H16O4, and the molecular weight is 188.22 g/mol. InChIKey PIJBVCVBCQOWMM-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.