Isoamyl acetate - anhydrous, ≥99% , CAS No.123-92-2

CAS: 123-92-2 Cat. No.: T119705 Fórmula: C₇H₁₄O₂ Peso molecular: 130.19 Beilstein Registry Number: 1744750 Número CE: 204-662-3

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

3-Methyl-1-butanol acetate | 3-Methyl-1-butanyl acetate | HSDB 1818 | Z135787824 | 3-Methyl butyl ester acetic acid | Acetic acid, 3-methylbutyl ester | CAS-123-92-2 | Acetic acid, isoamyl ester | DTXCID005453 | Isoamyl acetate, >=95%, FCC, FG | ISOAMYL A

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

3-Methyl-1-butanol acetate | 3-Methyl-1-butanyl acetate | HSDB 1818 | Z135787824 | 3-Methyl butyl ester acetic acid | Acetic acid, 3-methylbutyl ester | CAS-123-92-2 | Acetic acid, isoamyl ester | DTXCID005453 | Isoamyl acetate, >=95%, FCC, FG | ISOAMYL A

Especificações e pureza

anhydrous, ≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Anhydrous Grade

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504753451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753451

Sorrisos canónicos

CC(C)CCOC(=O)C

IUPAC Name

3-methylbutyl acetate

InChIKey

MLFHJEHSLIIPHL-UHFFFAOYSA-N

INCHI

1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

SMILES isoméricas

CC(C)CCOC(=O)C

WGK Alemanha

1

RTECS

NS9800000

Número UN

1104

Grupo de embalagem

III

Peso molecular

130.19

Beilstein

1744750

Reaxy-Rn

1744750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744750&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

Alvos associados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.4
• Ponto de inflamação (°F): 77 °F
• Ponto de inflamação (°C): 33℃
• Ponto de ebulição (°C): 142°C
• Ponto de fusão (°C): -78°C
• Peso molecular: 130.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• 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: 86.900
• 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 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 Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. 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.

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 123-92-2, the molecular formula is C7H14O2, and the molecular weight is 130.19 g/mol. InChIKey MLFHJEHSLIIPHL-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.