Butyl acetate - Grade5, Single metal impurity ≤ 10ppt , CAS No.123-86-4

CAS: 123-86-4 Cat. No.: B1523828 Fórmula: C₆H₁₂O₂ Peso molecular: 116.16 Beilstein Registry Number: 1741921 Número CE: 204-658-1

GRADE & PURITY Grade5(G5), Single metal impurity ≤ 10ppt

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Especificações e pureza

Grade5, Single metal impurity ≤ 10ppt

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Grau

Grade5(G5)

Nomes e identificadores

Sorrisos canónicos

CCCCOC(=O)C

IUPAC Name

butyl acetate

InChIKey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

INCHI

1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

SMILES isoméricas

CCCCOC(=O)C

WGK Alemanha

1

RTECS

AF7350000

Número UN

1123

Grupo de embalagem

III

Peso molecular

116.16

Beilstein

1741921

Reaxy-Rn

1741921

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741921&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: an 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

Propriedades químicas e físicas

• Índice de refração: 1.395
• Ponto de inflamação (°F): 80.6 °F - closed cup
• Ponto de inflamação (°C): 27 °C - closed cup
• Ponto de ebulição (°C): 126°C
• Ponto de fusão (°C): -78°C
• Peso molecular: 116.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.900
• 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 does UPSSS grade mean?

UPSSS grade indicates that the material has been processed and tested for semiconductor and electronics manufacturing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature, 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 123-86-4, the molecular formula is C6H12O2, and the molecular weight is 116.16 g/mol. InChIKey DKPFZGUDAPQIHT-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.