Butyl Propionate - ≥99%(GC) , CAS No.590-01-2

CAS: 590-01-2 Cat. No.: B152863 Fórmula: C₇H₁₄O₂ Peso molecular: 130.19 Beilstein Registry Number: 2(4)708 Número EC: 209-669-5

CALIDAD & PUREZA ≥99%(GC)

Synonyms

AI3-24352 | DTXSID5027223 | BUTYL PROPIONATE [FHFI] | Butyl propionate | Butyl propionate, 99% | n-Butyl propanoate | MFCD00009448 | 2NXC4AK99E | CHEBI:89831 | Tri Butyl Propionate | CAS-590-01-2 | Propionic acid n-butyl ester | n-Butyl n-propionate | UNI

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Descripción general

The isothermal vapor-liquid equilibrium for propionic acid and butyl propionate was studied. The rate co-efficient for the gas-phase reaction of butyl propionate with OH radical was studied by both absolute and relative methods.

Especificaciones

Sinónimos

AI3-24352 | DTXSID5027223 | BUTYL PROPIONATE [FHFI] | Butyl propionate | Butyl propionate, 99% | n-Butyl propanoate | MFCD00009448 | 2NXC4AK99E | CHEBI:89831 | Tri Butyl Propionate | CAS-590-01-2 | Propionic acid n-butyl ester | n-Butyl n-propionate | UNI

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

488181373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181373

Sonrisas canónicas

CCCCOC(=O)CC

IUPAC Name

butyl propanoate

InChIKey

BTMVHUNTONAYDX-UHFFFAOYSA-N

INCHI

1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3

Isómeros SMILES

CCCCOC(=O)CC

WGK Alemania

1

RTECS

UE8245000

Número ONU

1914

Grupo de embalaje

III

Peso molecular

130.19

Beilstein

2(4)708

Reaxy-Rn

1700932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700932&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.40
• Punto de inflamación (°C): 38 °C
• Punto de ebullición (°C): 146 °C
• Peso molecular: 130.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 130.099 Da
• Monoisotopic Mass: 130.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.000
• 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

Preguntas frecuentes

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

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 590-01-2, the molecular formula is C7H14O2, and the molecular weight is 130.19 g/mol. InChIKey BTMVHUNTONAYDX-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.