Hexyl acetate - CP, ≥98% , CAS No.142-92-7

CAS: 142-92-7 Cat. No.: H111062 Fórmula: C₈H₁₆O₂ Peso molecular: 144.21 Beilstein Registry Number: 1747138 Número CE: 205-572-7

GRAU & PUREZA CP, ≥98%

Synonyms

ACETIC ACID, HEXYL ESTER|Acetic acid-hexyl ester|l-Hexyl acetate|1-Hexyl acetate|Acetic Acid Hexyl Ester|HEXYL ACETATE [FHFI]|Hexyl ethanoate|Acetate C6|n-Hexyl acetate|Acetic acid n-hexyl ester|HEXYL ACETATE [FCC]|ACETIC ACID, HEXYL ESTER [HSDB]|Hexyl ester of acetic acid|HEXYL ACETATE [INCI]|N- HEXYL ACETATE|Hexyl acetate|Hexyl alcohol, acetate|Acetic acid, n-hexyl ester|acidic acid hexyl ester|HEXYL ESTER ACETIC ACID|Hexyl acetate (natural)|Hexylester kyseliny octove

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

Hexyl acetate was used to study the activity of diamondback moth sex pheromone and larval frass volatiles, as well as green leaf volatiles from cabbage, on the natural enemies of the pest.

Especificações

Sinónimos

ACETIC ACID, HEXYL ESTER | Acetic acid-hexyl ester | l-Hexyl acetate | 1-Hexyl acetate | Acetic Acid Hexyl Ester | HEXYL ACETATE [FHFI] | Hexyl ethanoate | Acetate C6 | n-Hexyl acetate | Acetic acid n-hexyl ester | HEXYL ACETATE [FCC] | ACETIC ACID, HEXYL ESTER [HSDB] | Hexyl ester of acetic acid | HEXYL ACETATE [INCI] | N- HEXYL ACETATE Show more

Especificações e pureza

CP, ≥98%

Mecanismos bioquímicos e fisiológicos

Hexyl acetate has antimicrobial activity and can be used to improve the safety of minimally processed fruits. Hexyl acetate is a fruity smelling fluid used as flavoring agent or in perfumes. Hexyl acetate is a green leaf volatile from cabbage Brassica ole

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

CP

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751763

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751763

Sorrisos canónicos

CCCCCCOC(=O)C

IUPAC Name

hexyl acetate

InChIKey

AOGQPLXWSUTHQB-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

SMILES isoméricas

CCCCCCOC(=O)C

WGK Alemanha

1

RTECS

AI0875000

Número UN

1993

Grupo de embalagem

I

Peso molecular

144.21

Beilstein

1747138

Reaxy-Rn

1747138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747138&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: 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

Alvos associados (não humanos)

Plutella xylostella (1838 Activities)

Explore this target

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

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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: 1.409
• Ponto de inflamação (°F): 131 °F
• Ponto de inflamação (°C): 43℃
• Ponto de ebulição (°C): 169.2°C
• Ponto de fusão (°C): -80°C
• 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