Hexyl acetate - ≥99% , CAS No.142-92-7

CAS: 142-92-7 Cat. No.: H111061 分子式: C₈H₁₆O₂ 分子量: 144.21 Beilstein Registry Number: 1747138 EC番号: 205-572-7

グレード＆純度 ≥99%

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

概要

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.

仕様

同義語

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 もっと見る

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥99%

名前と識別子

パブケム・シド

488180908

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180908

カノニカル・スマイル

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

異性体SMILES

CCCCCCOC(=O)C

WGKドイツ

1

RTECS

AI0875000

UN番号

1993

包装グループ

I

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water; Degree of Solubility in water: 511 mg/l 25 °C; Very soluble in Ether,Alcohol
• 屈折率: 1.409
• 引火点（°F）: 131 °F
• 引火点（°C）: 43℃
• 沸点（°C）: 169.2°C
• 融点（°C）: -80°C
• 分子量: 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