BUTYL ETHYL MALONATE , CAS No.17373-84-1

CAS: 17373-84-1 Cat. No.: B167901 Formula: C₉H₁₆O₄ Peso molecolare: 188.225

Synonyms

butylethylmalonate | Q27276085 | Butyl ethyl propanedioate | D4AGC486TU | FEMA 2195 | 3-O-butyl 1-O-ethyl propanedioate | Ethyl butyl malonate | FEMA No. 2195 | Propanedioic acid, 1-butyl 3-ethyl ester | Malonic acid, butyl ethyl ester | UNII-D4AGC486TU |

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

butylethylmalonate | Q27276085 | Butyl ethyl propanedioate | D4AGC486TU | FEMA 2195 | 3-O-butyl 1-O-ethyl propanedioate | Ethyl butyl malonate | FEMA No. 2195 | Propanedioic acid, 1-butyl 3-ethyl ester | Malonic acid, butyl ethyl ester | UNII-D4AGC486TU |

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

CCCCOC(=O)CC(=O)OCC

IUPAC Name

3-O-butyl 1-O-ethyl propanedioate

InChIKey

IHVVZSPWQJWRDV-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CCCCOC(=O)CC(=O)OCC

Peso molecolare

188.225

Reaxy-Rn

1773469

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773469&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 188.220 g/mol
• XLogP3: 1.800
• 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: 165.000
• 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

Domande frequenti

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 17373-84-1, the molecular formula is C9H16O4, and the molecular weight is 188.225 g/mol. InChIKey IHVVZSPWQJWRDV-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.