Allyl hexanoate - ≥98% , CAS No.123-68-2

CAS: 123-68-2 Cat. No.: A109767 Formula: C₉H₁₆O₂ Peso molecolare: 156.22 Beilstein Registry Number: 2(4)924 Numero EC: 204-642-4

GRADE & PURITY ≥98%

Synonyms

prop-2-en-1-yl hexanoate | ALLYL CAPROATE [INCI] | EINECS 204-642-4 | MFCD00038339 | UNII-3VH84A363D | Allyl hexanoate, >=98%, FCC, FG | 2-Propenyl n-hexanoate | Allyl n-hexanoate | Allyl hexanoate (natural) | Hexanoic Acid Allyl Ester | CHEBI:171771 | Al

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

prop-2-en-1-yl hexanoate | ALLYL CAPROATE [INCI] | EINECS 204-642-4 | MFCD00038339 | UNII-3VH84A363D | Allyl hexanoate, >=98%, FCC, FG | 2-Propenyl n-hexanoate | Allyl n-hexanoate | Allyl hexanoate (natural) | Hexanoic Acid Allyl Ester | CHEBI:171771 | Al

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504753447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753447
• Sorrisi canonici: CCCCCC(=O)OCC=C
• IUPAC Name: prop-2-enyl hexanoate
• InChIKey: RCSBILYQLVXLJG-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
• Isomeri SMILES: CCCCCC(=O)OCC=C
• WGK Germania: 2
• RTECS: MO6125000
• Numero UN: 2810
• Peso molecolare: 156.22
• Beilstein: 2(4)924
• Reaxy-Rn: 1761920
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

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

Obiettivi associati (non umani)

Acyrthosiphon pisum (40 Activities)

Explore this target

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

Tribolium castaneum (596 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Soluble in Ether,Alcohol
• Indice di rifrazione: 1.424
• Punto di infiammabilità (°F): 150.8 °F
• Punto di infiammabilità (°C): 66°C
• Punto di ebollizione (°C): 75-76°C
• Peso molecolare: 156.220 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Riferimenti

1. Baorong Chen, Xiaodan Wang, Yumeng Zhang, Wenyuan Zhang, Xiaoyang Pang, Shuwen Zhang, Jing Lu, Jiaping Lv.  (2023)  Determination and Risk Assessment of Flavor Components in Flavored Milk.  Foods,  12  (11): (2151).  [PMID:37297397] [10.3390/foods12112151]

2. Yuanfeng Pan, Futao Wang, Tengyou Wei, Chaolan Zhang, Huining Xiao.  (2016)  Hydrophobic modification of bagasse cellulose fibers with cationic latex: Adsorption kinetics and mechanism.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2016.05.022]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 123-68-2, the molecular formula is C9H16O2, and the molecular weight is 156.22 g/mol. InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.