Cas no 10094-36-7 (ethyl 3-cyclohexylpropanoate)
ethyl 3-cyclohexylpropanoate Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanepropanoicacid, ethyl ester
- ethyl 3-cyclohexylpropanoate
- 3-cyclohexyl-propionic acid ethyl ester
- 3-Cyclohexyl-propionsaeure-aethylester
- Cyclohexanepropionic acid,ethyl ester
- Ethyl 3-cyclohexylpropionate
- Ethyl cyclohexanepropanoate
- Ethyl cyclohexanepropionate
- Ethyl hexahydrophenylpropionate
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- MDL： MFCD00001526
- Inchi： InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
- InChI Key： NRVPMFHPHGBQLP-UHFFFAOYSA-N
- SMILES： CCOC(CCC1CCCCC1)=O
Computed Properties
- Exact Mass: 184.14600
- Monoisotopic Mass: 184.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 148
- 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
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.5
Experimental Properties
- Density: 0.94?g/mL?at 25?°C(lit.)
- Boiling Point: 91-94?°C8?mm Hg(lit.)
- Flash Point: 122?°F
- Refractive Index: n20/D 1.448(lit.)
- PSA: 26.30000
- LogP: 2.91000
- FEMA: 2431 | ETHYL CYCLOHEXANEPROPIONATE
ethyl 3-cyclohexylpropanoate Customs Data
- HS CODE：2916209090
- Customs Data：
China Customs Code:
2916209090Overview:
2916209090 other(Cycloalkane\Cycloene\Cyclic terpene)Monocarboxylic acid(Including anhydrides\Acyl halide,Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
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:
2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
ethyl 3-cyclohexylpropanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D582590-5g |
ETHYL CYCLOHEXANEPROPIONATE |
10094-36-7 | 95% | 5g |
$516 | 2024-05-24 | |
| abcr | AB446157-25 g |
Ethyl 3-cyclohexylpropanoate, min. 95%; . |
10094-36-7 | 25g |
€777.50 | 2023-04-22 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBJL100252-100MG |
ethyl 3-cyclohexylpropanoate |
10094-36-7 | 95% | 100MG |
￥ 316.00 | 2023-04-06 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBJL100252-250MG |
ethyl 3-cyclohexylpropanoate |
10094-36-7 | 95% | 250MG |
￥ 541.00 | 2023-04-06 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBJL100252-1G |
ethyl 3-cyclohexylpropanoate |
10094-36-7 | 95% | 1g |
￥ 1,458.00 | 2023-04-06 | |
| abcr | AB446157-25g |
Ethyl 3-cyclohexylpropanoate, min. 95%; . |
10094-36-7 | 25g |
€777.50 | 2025-02-16 | ||
| 1PlusChem | 1P0003QE-1g |
Cyclohexanepropanoic acid, ethyl ester |
10094-36-7 | 95% | 1g |
$195.00 | 2023-12-27 | |
| Aaron | AR0003YQ-100mg |
Cyclohexanepropanoic acid, ethyl ester |
10094-36-7 | 98% | 100mg |
$46.00 | 2025-02-13 | |
| Aaron | AR0003YQ-250mg |
Cyclohexanepropanoic acid, ethyl ester |
10094-36-7 | 98% | 250mg |
$78.00 | 2025-02-13 | |
| Ambeed | A420484-100mg |
Ethyl 3-cyclohexylpropanoate |
10094-36-7 | 95% | 100mg |
$57.0 | 2024-04-26 |
ethyl 3-cyclohexylpropanoate Suppliers
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ethyl 3-cyclohexylpropanoate Related Literature
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1. Homolytic reactions of ligated boranes. Part 9. Overall addition of alkanes to electron-deficient alkenes by a radical chain mechanismJehan A. Baban,Brian P. Roberts J. Chem. Soc. Perkin Trans. 2 1988 1195
Additional information on ethyl 3-cyclohexylpropanoate
Introduction to Ethyl 3-cyclohexylpropanoate (CAS No. 10094-36-7)
Ethyl 3-cyclohexylpropanoate, with the chemical formula C11H20O2 and CAS number 10094-36-7, is an ester derivative that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound, characterized by its cyclohexyl substituent, exhibits a range of potential applications due to its unique structural and chemical properties.
The synthesis of ethyl 3-cyclohexylpropanoate typically involves the reaction between cyclohexanol and acetic acid or its derivatives under acidic catalytic conditions. This process highlights the compound's versatility in organic transformations and its suitability for further functionalization. The presence of the cyclohexyl group imparts steric hindrance, which can influence the compound's reactivity and interaction with biological targets.
In recent years, ethyl 3-cyclohexylpropanoate has been explored for its potential role in pharmaceutical applications. Its structural motif is reminiscent of many bioactive molecules, making it a valuable scaffold for drug discovery. Researchers have been particularly interested in its potential as a precursor for more complex molecules that could interact with specific biological pathways. For instance, studies have suggested that derivatives of this compound may exhibit properties relevant to anti-inflammatory and analgesic therapies.
The compound's stability under various conditions makes it a promising candidate for industrial applications as well. Its resistance to hydrolysis and oxidation allows for extended storage and transportation, which is crucial in pharmaceutical manufacturing. Additionally, the cyclohexyl group can enhance solubility in certain solvents, facilitating its use in formulations requiring precise solubility profiles.
Recent advancements in computational chemistry have enabled more accurate predictions of ethyl 3-cyclohexylpropanoate's behavior in different environments. Molecular dynamics simulations have shown that the compound can adopt multiple conformations depending on the surrounding medium, which could influence its interactions with other molecules. These insights are particularly valuable for designing experiments aimed at optimizing its applications in drug development.
The pharmacological potential of ethyl 3-cyclohexylpropanoate has also been investigated in vitro. Preliminary studies indicate that certain derivatives may modulate enzyme activity relevant to metabolic pathways. This suggests that further exploration could uncover novel therapeutic agents targeting conditions such as metabolic disorders and neurodegenerative diseases. The cyclohexyl group's ability to engage with biological targets without excessive toxicity makes it an attractive feature for medicinal chemists.
In conclusion, ethyl 3-cyclohexylpropanoate (CAS No. 10094-36-7) represents a fascinating compound with diverse applications in chemistry and pharmaceuticals. Its unique structure, synthesized through well-established methods, offers a platform for innovative research. As our understanding of molecular interactions continues to evolve, compounds like ethyl 3-cyclohexylpropanoate will undoubtedly play a crucial role in advancing both academic research and industrial applications.
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