Cas no 2552-91-2 ((+)-Neomenthyl Acetate)
(+)-Neomenthyl Acetate Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,5-methyl-2-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-
- (1S)-(+)-Neomenthyl acetate
- Menthol, acetate, (1R,3S,4S)-(+)-
- NEOMENTHYLACETATE, (1S)-(+)-(RG)
- Acetic acid (1R,3S,4S)-p-menthane-3-yl ester
- Neomenthyl acetate
- d-Neomenthyl acetate
- (+)-Neomenthyl acetate
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-
- mentyl acetate
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1S,2S,5R)-
- NEOMENTHYLACETATE
- (1S)-neomenthyl acetate
- FCH920429
- (+)-(1S,2S,5R)-Neomenthyl acetate
- FT-
- DTXSID80889370
- [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1S-(1alpha,2alpha,5beta))-
- 2552-91-2
- D93434
- (1S,2S,5R)-(+)-Neomenthyl acetate, puriss. p.a., terpene standard for GC, >=99.0% (sum of enantiomers, GC)
- SCHEMBL4256862
- DTXSID701026541
- [(1S, 2S, 5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
- (1S,2S,5R)-2-isopropyl-5-methylcyclohexyl acetate
- AKOS006343703
- (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl acetate
- Neomenthol acetate
- Q27149810
- EINECS 219-856-3
- CHEBI:80758
- AS-58997
- NSC 7350
- (+)-Neomenthyl Acetate
-
- MDL: MFCD00062978
- Inchi: 1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
- InChI Key: XHXUANMFYXWVNG-USWWRNFRSA-N
- SMILES: O(C(C)=O)[C@H]1C[C@H](C)CC[C@H]1C(C)C
Computed Properties
- Exact Mass: 198.16200
- Monoisotopic Mass: 198.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Not determined
- Density: 0.912?g/mL?at 25?°C(lit.)
- Melting Point: 36-38?°C(lit.)
- Boiling Point: 81?°C3?mm Hg(lit.)
- Flash Point: 90?°F
- Refractive Index: 1.4500
- PSA: 26.30000
- LogP: 3.01030
- Solubility: Not determined
(+)-Neomenthyl 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. | S908786-250mg |
(1S)-(+)-Neomenthyl acetate |
2552-91-2 | 95% | 250mg |
1,449.00 | 2021-05-17 | |
| TRC | N390037-250mg |
(+)-Neomenthyl Acetate |
2552-91-2 | 250mg |
$ 164.00 | 2023-09-06 | ||
| TRC | N390037-500mg |
(+)-Neomenthyl Acetate |
2552-91-2 | 500mg |
$299.00 | 2023-05-17 | ||
| TRC | N390037-1g |
(+)-Neomenthyl Acetate |
2552-91-2 | 1g |
$ 465.00 | 2022-06-03 | ||
| TRC | N390037-2.5g |
(+)-Neomenthyl Acetate |
2552-91-2 | 2.5g |
$ 1271.00 | 2023-09-06 | ||
| Key Organics Ltd | AS-58997-0.25g |
(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl acetate |
2552-91-2 | >95% | 0.25g |
£590.00 | 2025-02-08 | |
| TRC | N390037-1000mg |
(+)-Neomenthyl Acetate |
2552-91-2 | 1g |
$569.00 | 2023-05-17 | ||
| eNovation Chemicals LLC | D755719-50mg |
(1S)-(+)-NEOMENTHYL ACETATE |
2552-91-2 | 95% | 50mg |
$185 | 2024-06-06 | |
| eNovation Chemicals LLC | D755719-100mg |
(1S)-(+)-NEOMENTHYL ACETATE |
2552-91-2 | 95% | 100mg |
$260 | 2024-06-06 | |
| eNovation Chemicals LLC | D755719-250mg |
(1S)-(+)-NEOMENTHYL ACETATE |
2552-91-2 | 95% | 250mg |
$465 | 2024-06-06 |
(+)-Neomenthyl Acetate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
Additional information on (+)-Neomenthyl Acetate
Chemical Profile of (+)-Neomenthyl Acetate (CAS No. 2552-91-2)
(+)-Neomenthyl Acetate, identified by its Chemical Abstracts Service (CAS) number 2552-91-2, is a significant compound in the realm of organic chemistry and pharmaceutical research. This chiral ester, derived from neomenthol and acetic acid, has garnered attention due to its unique structural properties and potential applications in various scientific domains. The enantiomeric purity of this compound makes it a valuable reagent in synthetic chemistry, particularly in the development of enantiomerically pure pharmaceuticals and agrochemicals.
The chemical structure of (+)-Neomenthyl Acetate features a menthyl group attached to an acetate moiety, with the stereochemistry defined by the configuration at the carbon atom adjacent to the oxygen atoms of the acetate group. This specific arrangement contributes to its distinct physical and chemical properties, including solubility, reactivity, and interaction with biological systems. The compound’s stability under various conditions further enhances its utility in laboratory settings and industrial processes.
Recent advancements in the field of chiral chemistry have highlighted the importance of (+)-Neomenthyl Acetate in asymmetric synthesis. Researchers have leveraged its scaffold to develop novel catalysts and ligands that facilitate highly enantioselective reactions. These developments are particularly relevant in the pharmaceutical industry, where achieving high enantiomeric purity is crucial for the efficacy and safety of drug candidates. The compound’s role as a building block in constructing complex molecular architectures has opened new avenues for drug discovery and material science applications.
In addition to its synthetic utility, (+)-Neomenthyl Acetate has shown promise in biochemical studies. Its interaction with enzymes and receptors has been explored as part of efforts to understand metabolic pathways and develop targeted therapies. For instance, derivatives of this compound have been investigated for their potential effects on neurotransmitter systems, suggesting possible applications in neuropharmacology. The compound’s ability to modulate biological processes without exhibiting significant toxicity makes it an attractive candidate for further research.
The production and purification of (+)-Neomenthyl Acetate require stringent methodologies to ensure high yield and enantiomeric excess. Modern techniques such as enzymatic resolution and chiral chromatography have been employed to isolate the desired enantiomer with minimal racemization. These processes underscore the compound’s industrial relevance and highlight the advancements in synthetic methodologies that enable efficient production at scale.
The versatility of (+)-Neomenthyl Acetate extends beyond pharmaceutical applications. In agrochemical research, this compound has been utilized as a precursor in synthesizing novel pesticides and herbicides. Its structural features contribute to the development of environmentally friendly alternatives that are effective against pests while maintaining low toxicity to non-target organisms. Such innovations align with global efforts to promote sustainable agricultural practices.
Future research directions for (+)-Neomenthyl Acetate include exploring its potential in green chemistry initiatives. The development of biocatalytic routes for its synthesis could reduce reliance on traditional petrochemical-based methods, thereby lowering environmental impact. Furthermore, investigating its role in nanotechnology may uncover novel applications in drug delivery systems and material engineering.
The regulatory landscape for (+)-Neomenthyl Acetate is another area of interest. As regulatory agencies continue to emphasize safety and sustainability, manufacturers must adhere to strict guidelines during production and handling. Compliance with these regulations ensures that the compound remains accessible for legitimate scientific purposes while minimizing any potential risks.
In conclusion, (+)-Neomenthyl Acetate (CAS No. 2552-91-2) represents a multifaceted compound with broad applications across chemistry, pharmacology, and agriculture. Its unique structural attributes and stereochemical properties make it a valuable tool for researchers seeking innovative solutions in drug development, material science, and sustainable practices. As scientific understanding evolves, the potential uses of this compound are likely to expand, reinforcing its importance in modern chemical research.
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