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Basic Description
| Synonyms | LINALYL ACETATE | 115-95-7 | Linalool acetate | Bergamiol | Bergamol | 3,7-dimethylocta-1,6-dien-3-yl acetate | Lynalyl acetate | Linalol acetate | Licareol acetate | Acetic acid linalool ester | 3,7-Dimethyl-1,6-octadien-3-yl acetate | 1,6-Octadien-3-ol, 3,7-dimethyl-, acetat |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Linalyl acetate is the main component of many plant essential oils such as lavender oil.It can be used as a flavoring agentand fragrance ingredient. |
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
Prenol lipids
- Subclass Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyclic monoterpenoids |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyclic monoterpenoid - 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 acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. |
| External Descriptors | acetate ester - monoterpenoid |
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Associated Targets(Human)
NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Aspergillus flavus (8875 Activities)
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Mycoplasmoides pneumoniae (351 Activities)
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Leptinotarsa decemlineata (1161 Activities)
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Psoroptes ovis (78 Activities)
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Sclerotinia sclerotiorum (877 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Metamycoplasma hominis (88 Activities)
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Fusarium oxysporum f. sp. dianthi (4 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
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-yl acetate |
|---|---|
| INCHI | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
| InChIKey | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| Smiles | CC(=CCCC(C)(C=C)OC(=O)C)C |
| Isomeric SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| WGK Germany | 1 |
| RTECS | RG5910000 |
| Molecular Weight | 196.29 |
| Beilstein | 1724500 |
| Reaxy-Rn | 1724497 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724497&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | 1.453 |
|---|---|
| Flash Point(°F) | 201.2 °F |
| Flash Point(°C) | 94 °C |
| Boil Point(°C) | 220°C |
| Molecular Weight | 196.290 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 196.146 Da |
| Monoisotopic Mass | 196.146 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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. Nan He, Chunxiao Zhang, Kaiyang Hou, Hongxiao Yu, Donghai Zhang, Mengying Chen, Kaiqiang Zhang, Xu Wang. (2023) A comprehensive study on flavor/cyclodextrin inclusion complexes. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 679 (132613). |
| 2. Peixi Zhu, Mengya Hao, Feng Su, Wenhao Xu, Qihong Zhang, Weike Su, Erwin Adams. (2022) Mechanochemical-assisted extraction of essential oils from Citrus aurantium L. var. amara Engl.. INDUSTRIAL CROPS AND PRODUCTS, 188 (115703). |
| 3. Li Yuling, Wu Weifeng, Jian Rongchao, Ren Xiaofei, Chen Xiaole, Hong Weiqian David, Wu Min, Cai Jinglin, Lao Canyao, Xu Ximing, Sheng Zhaojun. (2023) Larvicidal, acetylcholinesterase inhibitory activities of four essential oils and their constituents against Aedes albopictus, and nanoemulsion preparation. JOURNAL OF PEST SCIENCE, 96 (3): (961-971). |
| 4. Yongfeng Wang, Qingqing Cheng, Jian Liu, Zeeshan Tariq, Zhaozhu Zheng, Gang Li, David L. Kaplan, Xiaoqin Wang. (2020) Tuning Microcapsule Shell Thickness and Structure with Silk Fibroin and Nanoparticles for Sustained Release. ACS Biomaterials Science & Engineering, 6 (8): (4583–4594). |
| 5. Ping Chen, Bing Liu, Xin Liu, Jihong Fu. (2019) Ultrasound-assisted extraction and dispersive liquid–liquid microextraction coupled with gas chromatography-mass spectrometry for the sensitive determination of essential oil components in lavender. Analytical Methods, 11 (11): (1541-1550). |
| 6. Wenqian Li, Hao Shi, Huaihai Ding, Liangliang Wang, Yu Zhang, Xun Li, Fei Wang. (2018) Characterization of two novel thermostable esterases from Thermoanaerobacterium thermosaccharolyticum. PROTEIN EXPRESSION AND PURIFICATION, 152 (64). |
| 7. Xinming Chen, Dandan Yang, Lin Huang, Mengqi Li, Jihai Gao, Can Liu, Xiaoming Bao, Zhizhi Huang, Jinhui Yang, Haozhou Huang, Dingkun Zhang, Runchun Xu. (2024) Comparison and identification of aroma components in 21 kinds of frankincense with variety and region based on the odor intensity characteristic spectrum constructed by HS–SPME–GC–MS combined with E-nose. FOOD RESEARCH INTERNATIONAL, 195 (114942). |
| 8. Xiaoming Zeng, Hao He, Liejiang Yuan, Haizhi Wu, Cong Zhou. (2024) Determination of 24 Trace Aromatic Substances in Rosemary Hydrosol by Dispersed Liquid–Liquid Microextraction–Gas Chromatography. Processes, 12 (3): (498). |
| 9. Jian Hong, Qiang Wang, Biao Liu, Tao Li, Dingkai Hu, Furqan Muhammad. (2024) Isothermal Vapor–Liquid Equilibrium for Linalool + Linalyl Acetate, Linalool + α-Terpineol, and α-Terpineol + Linalyl Acetate Systems Using Headspace Gas Chromatography. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 69 (4): (1631-1644). |
| 10. Hafiz Abdul Rasheed, Abdur Rehman, Xiaochen Chen, Tariq Aziz, Fahad Al-Asmari, Majid Alhomrani, Abdulhakeem S. Alamri, Haiying Cui, Lin Lin. (2024) Unveiling the anti-listerial effect of Citrus bergamia essential oil: Mechanism of membrane disruption and anti-hemolytic activity. Food Bioscience, 61 (104742). |
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