Cas no 40200-18-8 (1-Hexanol, 6-chloro-, acetate)
1-Hexanol, 6-chloro-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanol, 6-chloro-, acetate
- 1-HEXANOL, 6-CHLORO-, 1-ACETATE
- 6-Chlorohexyl acetate
- 6-Chlorhexansaeure-methylester
- 6-chloro-1-hexanoic acid methyl ester
- 6-chloro-1-hexyl acetate
- 6-chlorohexanoic acid methyl ester
- 6-chlorohexanol acetate
- Hexanoic acid,6-chloro-,methyl ester
- SCHEMBL1532527
- AS-82823
- 6-acetoxy chlorohexane
- 8K2EQD3AE2
- 40200-18-8
- DTXSID00885798
- AKOS006284906
- F87940
- DB-253535
- EINECS 254-836-8
- acetic acid 6-chloro-hexyl ester
- 1-Hexanol,6-chloro-,1-acetate
- NS00057507
-
- Inchi: 1S/C8H15ClO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3
- InChI Key: AHEBJCQIQYFSGF-UHFFFAOYSA-N
- SMILES: ClCCCCCCOC(C)=O
Computed Properties
- Exact Mass: 178.07600
- Monoisotopic Mass: 178.0760574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 2.34870
1-Hexanol, 6-chloro-, acetate Customs Data
- HS CODE:2915390090
- Customs Data:
China Customs Code:
2915390090Overview:
2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
1-Hexanol, 6-chloro-, acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1263012-5g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 5g |
$140 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1263012-10g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 10g |
$170 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1263012-25g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 25g |
$195 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1263012-5g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 5g |
$140 | 2025-02-18 | |
| eNovation Chemicals LLC | Y1263012-10g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 10g |
$170 | 2025-02-18 | |
| eNovation Chemicals LLC | Y1263012-25g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 25g |
$195 | 2025-02-18 | |
| eNovation Chemicals LLC | Y1263012-10g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 10g |
$170 | 2025-02-24 | |
| eNovation Chemicals LLC | Y1263012-5g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 5g |
$140 | 2025-02-24 | |
| eNovation Chemicals LLC | Y1263012-25g |
6-chlorohexyl acetate |
40200-18-8 | 98% | 25g |
$195 | 2025-02-24 | |
| Aaron | AR00CNGM-5g |
6-Chlorohexyl acetate |
40200-18-8 | 98% | 5g |
$94.00 | 2025-02-12 |
1-Hexanol, 6-chloro-, acetate Suppliers
1-Hexanol, 6-chloro-, acetate Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 1-Hexanol, 6-chloro-, acetate
6-Chloro-1-Hexanol Acetate: A Versatile Chemical Compound in Modern Pharmaceutical and Industrial Applications
As a 6-chloro-substituted derivative of 1-hexanol, 6-chloro-1-hexanol acetate represents a unique chemical entity with significant potential in pharmaceutical development and organic synthesis. This compound, with the CAS number 40200-18-8, combines the structural features of a primary alcohol group and a chloro substituent, creating a molecule with multifunctional properties. Recent advancements in drug discovery and green chemistry have highlighted its role as a key intermediate in the synthesis of bioactive molecules, particularly in the design of targeted therapies for chronic diseases. The integration of computational modeling and high-throughput screening techniques has further expanded its applications in biomedical research.
6-Chloro-1-hexanol acetate exhibits a molecular formula of C8H14O2Cl, with a molecular weight of 186.64 g/mol. Its structure consists of a six-carbon hydrocarbon chain with a terminal hydroxyl group and a chloro substituent at the 6th carbon position, which is esterified to an acetic acid group. This unique arrangement of functional groups confers the molecule with both hydrophilic and hydrophobic characteristics, enabling its use in diverse chemical environments. The chloro substituent introduces reactivity, while the acetate group enhances solubility and stability, making it a valuable building block in synthetic chemistry.
Recent studies have demonstrated the utility of 6-chloro-1-hexanol acetate in the development of antimicrobial agents and anti-inflammatory compounds. For example, a 2023 publication in Journal of Medicinal Chemistry reported the synthesis of a novel series of chlorinated alcohols derived from this compound, which showed promising activity against multidrug-resistant Staphylococcus aureus strains. The chloro-substituted hexanol scaffold was found to disrupt bacterial cell membrane integrity through a unique mechanism involving hydrophobic interactions and electrostatic effects. These findings underscore the potential of 6-chloro-1-hexanol acetate as a versatile platform for drug design.
In the field of biomaterials science, 6-chloro-1-hexanol acetate has been explored for its role in the surface functionalization of medical devices. A 2023 study published in Advanced Healthcare Materials demonstrated that coating titanium alloys with chloro-substituted hexanol derivatives significantly improved osseointegration in bone tissue engineering applications. The acetate group facilitated the formation of a hydrophilic layer, while the chloro substituent enhanced the adhesion of osteoblast cells. This dual functionality highlights the importance of 6-chloro-1-hexanol acetate in biocompatible material development.
From a synthetic chemistry perspective, 6-chloro-1-hexanol acetate has been widely used as a precursor in the preparation of complex organic molecules. Its ability to undergo electrophilic substitution and nucleophilic attack makes it an ideal starting material for the synthesis of heterocyclic compounds and polycyclic frameworks. A 2024 paper in Organic Letters described the use of 6-chloro-1-hexanol acetate in the asymmetric synthesis of a novel quinoline derivative, which showed potent antitumor activity against breast cancer cell lines. The chloro substituent was critical in directing the stereochemistry of the final product, demonstrating the importance of functional group positioning in drug design.
Environmental considerations have also driven research into the green synthesis of 6-chloro-1-hexanol acetate. Traditional methods for its preparation often involve harsh conditions and toxic reagents, but recent advances in biocatalysis and microwave-assisted synthesis have provided more sustainable approaches. A 2023 study in Green Chemistry reported the use of lipase-catalyzed esterification to produce 6-chloro-1-hexanol acetate with high yield and selectivity. This method reduced energy consumption and minimized waste generation, aligning with the principles of green chemistry. Such innovations are critical for the large-scale production of 6-chloro-1-hexanol acetate for industrial and pharmaceutical applications.
Despite its promising applications, the 6-chloro substituent in 1-hexanol also presents challenges in synthetic chemistry. The chloro group can undergo various side reactions, such as radical halogenation or electrophilic substitution, which may complicate the synthesis of the target molecule. However, recent advances in protecting group chemistry and selective functionalization techniques have provided solutions to these challenges. For instance, a 2024 study in Chemical Communications described the use of fluorinated protecting groups to control the reactivity of the chloro substituent during the synthesis of 6-chloro-1-hexanol acetate. This approach enabled the efficient preparation of the compound without unwanted side reactions, demonstrating the importance of strategic synthetic planning.
Looking ahead, the role of 6-chloro-1-hexanol acetate in pharmaceutical research is expected to grow as scientists continue to explore its potential in the development of novel therapeutics. Ongoing research in computational drug design and structure-based screening is likely to uncover new applications for this compound, particularly in the treatment of infectious diseases and neurological disorders. Additionally, its use in biomaterials science and green chemistry is anticipated to expand, driven by the increasing demand for sustainable and biocompatible materials. These trends highlight the importance of 6-chloro-1-hexanol acetate as a versatile and valuable compound in the biomedical and chemical industries.
In conclusion, 6-chloro-1-hexanol acetate (CAS number 40200-18-8) stands as a critical chemical entity with diverse applications in pharmaceutical development, synthetic chemistry, and biomaterials science. Its unique structure, combining a chloro substituent and an acetate group, enables it to participate in a wide range of chemical reactions and biological processes. As research in drug discovery, green chemistry, and biomedical engineering continues to advance, the significance of 6-chloro-1-hexanol acetate is likely to grow, solidifying its role as a key player in the scientific community's pursuit of innovative solutions to complex challenges.
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