Pentyl propionate - ≥99% , CAS No.624-54-4

CAS: 624-54-4 Cat. No.: P137733 Fórmula: C₈H₁₆O₂ Peso molecular: 144.21 Número EC: 210-852-7 PubChem CID: 12217

GRADE & PURITY ≥99%

Synonyms

UNII-826P0596UJ | Propionic acid, pentyl ester | BRN 1747102 | n-Amyl propionate | propionic acid pentyl ester | 826P0596UJ | SCHEMBL20847 | TWSRVQVEYJNFKQ-UHFFFAOYSA-N | FT-0622381 | LS-13517 | CHEBI:87373 | Tri NPentyl Propionate | Tri N-Pentyl Propiona

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

UNII-826P0596UJ | Propionic acid, pentyl ester | BRN 1747102 | n-Amyl propionate | propionic acid pentyl ester | 826P0596UJ | SCHEMBL20847 | TWSRVQVEYJNFKQ-UHFFFAOYSA-N | FT-0622381 | LS-13517 | CHEBI:87373 | Tri NPentyl Propionate | Tri N-Pentyl Propiona

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504752284
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752284
• Sonrisas canónicas: CCCCCOC(=O)CC
• IUPAC Name: pentyl propanoate
• InChIKey: TWSRVQVEYJNFKQ-UHFFFAOYSA-N
• INCHI: 1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
• Isómeros SMILES: CCCCCOC(=O)CC
• WGK Alemania: 1
• RTECS: UA2533000
• PubChem CID: 12217
• Número ONU: 3272
• Grupo de embalaje: II
• Peso molecular: 144.21

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: propanoate ester

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

• Punto de inflamación (°F): 132.8 °F
• Punto de inflamación (°C): 41℃
• Punto de ebullición (°C): 168℃
• Punto de fusión (°C): -73.1℃
• Peso molecular: 144.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.300
• 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?

This product is supplied at ≥99% 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 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 624-54-4, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey TWSRVQVEYJNFKQ-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.