Amyl acetate - Standard for GC, ≥99.5%(GC) , CAS No.628-63-7

CAS: 628-63-7 Cat. No.: A103450 Peso molecular: 130.18 Beilstein Registry Number: 1744753 Número EC: 211-047-3

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Acetic acid pentyl ester | HSDB 5126 | n-Amyl acetate, normal | BRN 1744753 | NCGC00259177-01 | Pentyl acetate | LMFA07010176 | Octan amylu [Polish] | Pent-acetate | 1-Pentanol acetate | A834045 | DTXSID1027263 | Pentyl acetate, 99% | Tox21_201628 | Amyl

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Pentyl acetate is banana essence that is used as a test odorant in studies of olfactory function and of the psychosocial effects of odor.
Usually used as a test odorant.

Specifications

Sinónimos

Acetic acid pentyl ester | HSDB 5126 | n-Amyl acetate, normal | BRN 1744753 | NCGC00259177-01 | Pentyl acetate | LMFA07010176 | Octan amylu [Polish] | Pent-acetate | 1-Pentanol acetate | A834045 | DTXSID1027263 | Pentyl acetate, 99% | Tox21_201628 | Amyl

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCOC(=O)C
• IUPAC Name: pentyl acetate
• InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N
• INCHI: 1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
• Isómeros SMILES: CCCCCOC(=O)C
• WGK Alemania: 1
• RTECS: AJ1925000
• Número ONU: 1104
• Grupo de embalaje: III
• Peso molecular: 130.18
• Beilstein: 1744753
• Reaxy-Rn: 1744753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744753&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: Wax monoesters

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 acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (10 g/L at 20 °C).
• Índice de refracción: 1.4012
• Punto de inflamación (°F): 98.6 °F
• Punto de inflamación (°C): 39℃
• Punto de ebullición (°C): 148.4°C
• Punto de fusión (°C): -70.8°C
• Peso molecular: 130.180 g/mol
• XLogP3: 1.900
• 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

Referencias

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