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Basic Description
| 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 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | 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 |
| Description | 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 |
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Associated Targets(non-human)
Acyrthosiphon pisum (40 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tribolium castaneum (596 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504753447 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753447 |
| IUPAC Name | prop-2-enyl hexanoate |
| INCHI | InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
| InChIKey | RCSBILYQLVXLJG-UHFFFAOYSA-N |
| Smiles | CCCCCC(=O)OCC=C |
| Isomeric SMILES | CCCCCC(=O)OCC=C |
| WGK Germany | 2 |
| RTECS | MO6125000 |
| UN Number | 2810 |
| Molecular Weight | 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2311085 |
Certificate of Analysis | Feb 11, 2025 | A109767 |
| E2311076 |
Certificate of Analysis | Feb 11, 2025 | A109767 |
| H2218027 |
Certificate of Analysis | May 07, 2024 | A109767 |
| H2218028 |
Certificate of Analysis | May 07, 2024 | A109767 |
| H2218029 |
Certificate of Analysis | May 07, 2024 | A109767 |
| F1920007 |
Certificate of Analysis | Feb 07, 2023 | A109767 |
Chemical and Physical Properties
| Solubility | Insoluble in water; Soluble in Ether,Alcohol |
|---|---|
| Refractive Index | 1.424 |
| Flash Point(°F) | 150.8 °F |
| Flash Point(°C) | 66°C |
| Boil Point(°C) | 75-76°C |
| Molecular Weight | 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 |
Citations of This Product
| 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). |
| 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, 302 (33). |
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