Propyl acetate - AR, ≥99% , CAS No.109-60-4

CAS: 109-60-4 Cat. No.: P103883 Fórmula: C₅H₁₀O₂ Peso molecular: 102.13 Beilstein Registry Number: 1740764 Número CE: 203-686-1

GRADE & PURITY AR, ≥99%

Synonyms

HSDB 161 | Propylester kyseliny octove | Acetic acid, n-propyl ester | Acetic acid n-propyl ester | CHEBI:40116 | PROPYL ACETATE [INCI] | UN1276 | N-PROPYL ACETATE | Q415750 | ACETIC ACID, N-PROPYL ETHER | 4-02-00-00138 (Beilstein Handbook Reference) | PR

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Sinónimos

HSDB 161 | Propylester kyseliny octove | Acetic acid, n-propyl ester | Acetic acid n-propyl ester | CHEBI:40116 | PROPYL ACETATE [INCI] | UN1276 | N-PROPYL ACETATE | Q415750 | ACETIC ACID, N-PROPYL ETHER | 4-02-00-00138 (Beilstein Handbook Reference) | PR

Especificações e pureza

AR, ≥99%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Grau

AR

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 488180644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180644
• Sorrisos canónicos: CCCOC(=O)C
• IUPAC Name: propyl acetate
• InChIKey: YKYONYBAUNKHLG-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
• SMILES isoméricas: CCCOC(=O)C
• WGK Alemanha: 1
• RTECS: AJ3675000
• Número UN: 1276
• Grupo de embalagem: II
• Peso molecular: 102.13
• Beilstein: 1740764
• Reaxy-Rn: 1740764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740764&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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: acetate 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Miscible with alcohols, ketones, aldehydes, ethers, glycols and glycol ethers. Slightly soluble in water.
• Índice de refração: 1.384
• Ponto de inflamação (°F): 53.2 °F
• Ponto de inflamação (°C): 11.8 °C
• Ponto de ebulição (°C): 102°C
• Ponto de fusão (°C): -95°C
• Peso molecular: 102.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• 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

Perguntas frequentes

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.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 109-60-4, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey YKYONYBAUNKHLG-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.