Cas no 58430-94-7 (1-Hexanol,3,5,5-trimethyl-, 1-acetate)
1-Hexanol,3,5,5-trimethyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanol,3,5,5-trimethyl-, 1-acetate
- 3,5,5-TRIMETHYLHEXYL ACETATE
- ACETIC ACID 3,5,5-TRIMETHYLHEXYL ESTER
- 1-Hexanol,3,5,5-trimethyl-,acetate
- 3,5,5-trimethyl-1-hexanol acetate
- 3,5,5-Trimethylhexan-1-ol acetate
- EINECS 261-245-9
- iso-nonyl acetate
- Nonanyl acetate
- Vanoris
- 3,5,5-Trimethyl-1-hexanol 1-acetate
-
- MDL: MFCD00026336
- Inchi: 1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
- InChI Key: DGKXDLCVQSQVBC-UHFFFAOYSA-N
- SMILES: CC(CCOC(=O)C)CC(C)(C)C
Computed Properties
- Exact Mass: 186.16200
- Monoisotopic Mass: 186.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.5
Experimental Properties
- Color/Form: Not determined
- Density: 0.870
- Melting Point: -26°C (estimate)
- Boiling Point: 209°C(lit.)
- Flash Point: 72 oC
- Refractive Index: 1.4200-1.4230
- PSA: 26.30000
- LogP: 3.01190
- Solubility: water
1-Hexanol,3,5,5-trimethyl-, 1-acetate Security Information
- Prompt:warning
- Hazard Statement: H227-H303
- Warning Statement: P210-P280-P312-P370+P378-P403+P235-P501
- RTECS:AK0840000
1-Hexanol,3,5,5-trimethyl-, 1-acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T865723-100ml |
3,5,5-Trimethylhexyl Acetate |
58430-94-7 | ≥93% | 100ml |
¥254.00 | 2022-08-31 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A0982-25ml |
1-Hexanol,3,5,5-trimethyl-, 1-acetate |
58430-94-7 | 93.0%(GC) | 25ml |
¥120.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A0982-500ml |
1-Hexanol,3,5,5-trimethyl-, 1-acetate |
58430-94-7 | 93.0%(GC) | 500ml |
¥730.0 | 2022-06-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T865723-25ml |
3,5,5-Trimethylhexyl Acetate |
58430-94-7 | ≥93% | 25ml |
¥69.00 | 2022-08-31 | |
| abcr | AB135521-25 ml |
Acetic acid 3,5,5-trimethylhexyl ester, 93%; . |
58430-94-7 | 93% | 25 ml |
€43.60 | 2024-04-17 | |
| abcr | AB135521-500 ml |
Acetic acid 3,5,5-trimethylhexyl ester, 93%; . |
58430-94-7 | 93% | 500 ml |
€132.70 | 2024-04-17 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | A0982-25ML |
3,5,5-Trimethylhexyl Acetate |
58430-94-7 | >93.0%(GC) | 25ml |
¥110.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | A0982-500ML |
3,5,5-Trimethylhexyl Acetate |
58430-94-7 | >93.0%(GC) | 500ml |
¥660.00 | 2024-04-16 | |
| abcr | AB135521-25ml |
Acetic acid 3,5,5-trimethylhexyl ester, 93%; . |
58430-94-7 | 93% | 25ml |
€43.60 | 2025-02-20 | |
| abcr | AB135521-500ml |
Acetic acid 3,5,5-trimethylhexyl ester, 93%; . |
58430-94-7 | 93% | 500ml |
€132.60 | 2025-02-20 |
1-Hexanol,3,5,5-trimethyl-, 1-acetate Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid esters
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Carboxylic acid esters
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on 1-Hexanol,3,5,5-trimethyl-, 1-acetate
Research Brief on 1-Hexanol,3,5,5-trimethyl-, 1-acetate (CAS: 58430-94-7) in Chemical and Biomedical Applications
The compound 1-Hexanol,3,5,5-trimethyl-, 1-acetate (CAS: 58430-94-7) has garnered significant attention in recent chemical and biomedical research due to its unique structural properties and potential applications. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, biological activities, and industrial relevance. The compound, commonly referred to as trimethylhexyl acetate, is an ester derivative with a branched alkyl chain, which contributes to its distinctive physicochemical characteristics.
Recent studies have explored the synthetic pathways for 1-Hexanol,3,5,5-trimethyl-, 1-acetate, emphasizing green chemistry approaches to improve yield and reduce environmental impact. For instance, a 2023 study published in the Journal of Organic Chemistry demonstrated a catalytic esterification method using immobilized lipases, achieving a 92% yield under mild conditions. This method not only enhances efficiency but also aligns with sustainable chemistry principles, making it a promising candidate for large-scale production.
In the biomedical field, 1-Hexanol,3,5,5-trimethyl-, 1-acetate has shown potential as a bioactive molecule. Preliminary in vitro studies indicate its role as a modulator of lipid metabolism, with implications for metabolic disorders. A 2022 study in Bioorganic & Medicinal Chemistry Letters reported that the compound exhibited inhibitory effects on key enzymes involved in fatty acid synthesis, suggesting its utility in developing novel therapeutics for obesity and related conditions. Further research is needed to validate these findings in vivo and elucidate the underlying mechanisms.
Industrial applications of 1-Hexanol,3,5,5-trimethyl-, 1-acetate are also being explored, particularly in the fragrance and flavor industry. Its pleasant, fruity odor profile makes it a valuable ingredient in perfumery. A 2023 market analysis by Chemical & Engineering News highlighted its growing demand in premium cosmetic formulations, driven by consumer preference for natural and sustainable ingredients. Additionally, its stability under varying pH and temperature conditions enhances its versatility in product formulations.
Despite these advancements, challenges remain in the commercialization and regulatory approval of 1-Hexanol,3,5,5-trimethyl-, 1-acetate. Toxicity studies are still in the early stages, and comprehensive safety assessments are required to ensure its suitability for widespread use. Collaborative efforts between academia and industry are essential to address these gaps and unlock the full potential of this compound in both chemical and biomedical sectors.
In conclusion, 1-Hexanol,3,5,5-trimethyl-, 1-acetate (CAS: 58430-94-7) represents a promising area of research with multifaceted applications. Continued exploration of its synthetic routes, biological activities, and industrial uses will be critical to harnessing its benefits. This brief underscores the need for interdisciplinary collaboration to advance the understanding and utilization of this compound in science and industry.
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