Acétate d'hexyle - CP, ≥98% , CAS No.142-92-7

CAS: 142-92-7 Cat. No.: H111062 Formule: C₈H₁₆O₂ Poids moléculaire: 144.21 Beilstein Registry Number: 1747138 Numéro CE: 205-572-7

QUALITÉ & PURETÉ 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

Vue d’ensemble

L'acétate d'hexyle a été utilisé pour étudier l'activité de la phéromone sexuelle de la fausse-teigne des crucifères et des volatiles des déjections larvaires, ainsi que des volatiles de feuilles vertes de choux, sur les ennemis naturels du ravageur.

Spécifications

Synonymes

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 Afficher plus

Spécifications et pureté

CP, ≥98%

Mécanismes biochimiques et physiologiques

L'acétate d'hexyle a une activité antimicrobienne et peut être utilisé pour améliorer la sécurité des fruits peu transformés. L'acétate d'hexyle est un fluide à l'odeur fruitée utilisé comme agent aromatique ou dans les parfums. L'acétate d'hexyle est une

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

CP

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751763

Pubchem Sid Url

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

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)

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

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