Hexyl acetate - analytical standard, ≥99.5%(GC) , CAS No.142-92-7

CAS: 142-92-7 Cat. No.: H111063 Formule: C₈H₁₆O₂ Poids moléculaire: 144.21 Beilstein Registry Number: 1747138 Numéro CE: 205-572-7

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

Hexyl acetate|142-92-7|n-Hexyl acetate|ACETIC ACID, HEXYL ESTER|Hexyl ethanoate|1-Hexyl acetate|Acetic Acid Hexyl Ester|n-Hexyl ethanoate|Hexyl alcohol, acetate|FEMA No. 2565|Hexylester kyseliny octove|NSC 7323|88230-35-7|Acetic acid n-hexyl ester|Hexyl e

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

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.

Specifications

Synonymes

Hexyl acetate | 142-92-7 | n-Hexyl acetate | ACETIC ACID, HEXYL ESTER | Hexyl ethanoate | 1-Hexyl acetate | Acetic Acid Hexyl Ester | n-Hexyl ethanoate | Hexyl alcohol, acetate | FEMA No. 2565 | Hexylester kyseliny octove | NSC 7323 | 88230-35-7 | Acetic acid n-hexyl ester | Hexyl e

Spécifications et pureté

analytical standard, ≥99.5%(GC)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Analytical standard

Pureté

≥99.5%(GC)

Noms et identifiants

• Pubchem Sid: 528769475
• Sourires canoniques: 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
• Isomères SMILES: CCCCCCOC(=O)C
• WGK Allemagne: 1
• RTECS: AI0875000
• Numéro ONU: 1993
• Groupe d'emballage: I
• Poids moléculaire: 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
• Description: 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

Cibles associées (non humaines)

Plutella xylostella (1838 Activities)

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

Bursaphelenchus xylophilus (372 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.409
• Point d'éclair (°F): 131 °F
• Point d'éclair (°C): 43℃
• Point d'ébullition (°C): 169.2°C
• Point de fusion (°C): -80°C
• Poids moléculaire: 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