3,3-Diethoxypropionic Acid Ethyl Ester - ≥95% , CAS No.10601-80-6

CAS: 10601-80-6 Cat. No.: D108008 Summenformel: C₉H₁₈O₄ Molekulargewicht: 190.24 Beilstein Registry Number: 1772110 EG-Nummer: 234-223-1

GRADE & PURITY ≥95%

Synonyms

UNII-949D397DXS | W-108775 | AS-11094 | MFCD00009865 | AKOS005137982 | F0001-0131 | AM20080007 | Propanoic acid, 3,3-diethoxy-, ethyl ester | 3,3-Diethoxypropionic Acid Ethyl Ester | 3,3-Diethoxy-propionic acid ethyl ester | NCIOpen2_001167 | STL195590 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

UNII-949D397DXS | W-108775 | AS-11094 | MFCD00009865 | AKOS005137982 | F0001-0131 | AM20080007 | Propanoic acid, 3,3-diethoxy-, ethyl ester | 3,3-Diethoxypropionic Acid Ethyl Ester | 3,3-Diethoxy-propionic acid ethyl ester | NCIOpen2_001167 | STL195590 |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488183788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183788

Kanonisches Lächeln

CCOC(CC(=O)OCC)OCC

IUPAC Name

ethyl 3,3-diethoxypropanoate

InChIKey

SIALOQYKFQEKOG-UHFFFAOYSA-N

INCHI

1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3

Isomere SMILES

CCOC(CC(=O)OCC)OCC

WGK Deutschland

3

Molekulargewicht

190.24

Beilstein

1772110

Reaxy-Rn

1772110

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772110&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.411
• Flammpunkt (°F): 183.2 °F
• Flammpunkt (°C): 84 °C
• Siedepunkt (°C): 92-93°C
• Molekulargewicht: 190.240 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 190.121 Da
• Monoisotopic Mass: 190.121 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 130.000
• 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 ≥95% purity (chemical assay). 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 10601-80-6, the molecular formula is C9H18O4, and the molecular weight is 190.24 g/mol. InChIKey SIALOQYKFQEKOG-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.