Cas no 2497-21-4 (4-Hexen-3-one)
4-Hexen-3-one Chemical and Physical Properties
Names and Identifiers
-
- 4-hexen-3-one
- 4-Hexen-3-one,predominantly trans
- (4E)-4-Hexen-3-one
- (E)-4-hexene-3-one
- (E)-hex-4-ene-3-one
- 2-Hexen-4-one
- 2-Hexene-4-one
- 4-HEXENE-3-ONE
- E-4-hexen-3-one
- FEMA 3352
- hex-4-en-3-one
- hexene-4-one-3
- trans 4-hexen-3-one
- trans-hex-4-en-3-one
- ethyl 1-propenyl ketone
- NSC 245483
- 4-Hexen-3-one, (4E)-
- 4-keto-2-hexene
- 2-hexen4-one
- DSSTox_CID_27670
- DSSTox_RID_82489
- DSSTox_GSID_47670
- FEWIGMWODIRUJM-UHFFFAOYSA-N
- Tox21_303442
- AK187489
- H1735
- 4-Hexen-3-one predominantly trans
- EINECS 219-681-2
- MFCD00010631
- (E)-4-hexen-3-one
- CHEBI:89801
- 287565SV8S
- 4-Hexen-3-one, (E)-
- UNII-287565SV8S
- DTXCID2027670
- EN300-7580372
- (E)-CH3CH=CHC(=O)C2H5
- FEMA No. 3352
- 4-HEXEN-3-ONE [FHFI]
- 4-Hexen-3-one, predominantly trans
- (E)-2-hexene-4-one
- DTXSID90885909
- (E)-hex-4-en-3-one
- Q27161988
- CS-W013723
- trans-4-hexen-3-one
- CHEBI:183229
- 4-Hexen-3-one, >=92%
- trans-4-hexene-3-one
- (E)-2-hexen-4-one
- 2497-21-4
- AKOS015903510
- 4-Hexen-3-one, predominantly trans, >=90%
- (4E)-4-Hexen-3-one #
- J-015757
- NCGC00257470-01
- 50396-87-7
- (4E)-hex-4-en-3-one
- HEXENE-3-ONE, 4-
- DTXSID4047670
- CAS-2497-21-4
- DTXCID10210254
- DB-257901
- 4-Hexen-3-one
-
- MDL: MFCD00010631
- Inchi: 1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
- InChI Key: FEWIGMWODIRUJM-HWKANZROSA-N
- SMILES: O=C(/C=C/C)CC
Computed Properties
- Exact Mass: 98.07320
- Monoisotopic Mass: 98.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 82.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 1.2
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: liquid
- Density: 0.829
- Melting Point: -71.05°C (estimate)
- Boiling Point: 139 oC
- Flash Point: 34 oC
- Refractive Index: n20/D 1.44(lit.)
- PSA: 17.07000
- LogP: 1.54160
- FEMA: 3352 | 4-HEXENE-3-ONE
- Solubility: Unable or difficult to mix
4-Hexen-3-one Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H226,H302,H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:UN 1224
- WGK Germany:3
- Hazard Category Code: R10;R22;R36/37/38
- Safety Instruction: S16; S26; S36/37/39
- RTECS:MP8659900
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:III
- TSCA:Yes
- Packing Group:III
- Hazard Level:3
- Safety Term:3
- Packing Group:III
- Risk Phrases:R10
- Storage Condition:Flammable area
4-Hexen-3-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H111425-5g |
4-Hexen-3-one |
2497-21-4 | 98%, trans-isomer >95% | 5g |
¥76.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H111425-100g |
4-Hexen-3-one |
2497-21-4 | 98%, trans-isomer >95% | 100g |
¥926.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H111425-25g |
4-Hexen-3-one |
2497-21-4 | 98%, trans-isomer >95% | 25g |
¥269.90 | 2023-09-02 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011883-10g |
4-Hexen-3-one |
2497-21-4 | trans-isomer >92% | 10g |
¥401 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011883-50g |
4-Hexen-3-one |
2497-21-4 | trans-isomer >92% | 50g |
¥1265 | 2024-05-24 | |
| TRC | H252170-2.5g |
4-Hexen-3-one |
2497-21-4 | 2.5g |
$ 100.00 | 2022-06-04 | ||
| TRC | H252170-5g |
4-Hexen-3-one |
2497-21-4 | 5g |
$ 155.00 | 2022-06-04 | ||
| TRC | H252170-10g |
4-Hexen-3-one |
2497-21-4 | 10g |
$ 250.00 | 2022-06-04 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H811224-250g |
4-Hexen-3-one, predominantly trans |
2497-21-4 | 95%,trans-isomer >92% | 250g |
3,268.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W335207-SAMPLE |
4-Hexen-3-one |
2497-21-4 | ≥92% | 587.6 | 2021-05-17 |
4-Hexen-3-one Suppliers
4-Hexen-3-one Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Additional information on 4-Hexen-3-one
Professional Introduction to 4-Hexen-3-one (CAS No: 2497-21-4)
4-Hexen-3-one, also known by its CAS number 2497-21-4, is a naturally occurring organic compound belonging to the ketone class. This compound, characterized by its six-carbon chain with a ketone functional group at the third carbon, exhibits a distinct fruity aroma, making it a valuable intermediate in the fragrance and flavor industry. Beyond its commercial applications, recent advancements in biochemical research have highlighted the potential of 4-Hexen-3-one in various scientific domains, including pharmacology and material science.
The chemical structure of 4-Hexen-3-one (C?H??O) consists of a linear aliphatic backbone with a carbonyl group (C=O) positioned between the fourth and fifth carbon atoms. This structural configuration imparts unique reactivity, enabling its participation in diverse organic transformations such as aldol condensation, Michael addition, and enolate formation. These reactions underscore the compound’s versatility as a synthetic building block in organic synthesis.
In recent years, 4-Hexen-3-one has garnered attention in the field of medicinal chemistry due to its biological activity. Studies have demonstrated that this compound interacts with specific enzymatic pathways, potentially influencing metabolic processes. For instance, research suggests that 4-Hexen-3-one may modulate the activity of cytochrome P450 enzymes, which are crucial in drug metabolism. Such findings open avenues for exploring its role in developing novel therapeutic agents.
Moreover, the fragrance profile of 4-Hexen-3-one has been leveraged in the development of synthetic scents and flavor enhancers. Its apple-like aroma makes it a preferred choice for perfumers and food manufacturers seeking natural-sounding fragrances. The compound’s stability under various conditions further enhances its appeal for industrial applications.
From an environmental perspective, investigations into the biodegradation of 4-Hexen-3-one have revealed promising results. Microbial studies indicate that certain bacterial strains can efficiently break down this compound into simpler molecules, suggesting minimal ecological persistence. This biodegradability is a critical factor in assessing its environmental footprint and ensuring sustainable use.
Recent breakthroughs in nanotechnology have also explored the incorporation of 4-Hexen-3-one into advanced materials. Its ability to form stable complexes with metal ions has led to the development of novel catalysts for organic reactions. These catalysts exhibit enhanced efficiency and selectivity, contributing to greener synthetic methodologies in industrial chemistry.
The pharmacological potential of 4-Hexen-3-one extends to anti-inflammatory and analgesic applications. Preclinical studies have shown that derivatives of this compound exhibit inhibitory effects on inflammatory cytokines, offering a basis for developing new anti-inflammatory drugs. The structural motifs present in 4-Hexen-3-one provide a scaffold for medicinal chemists to design molecules with improved pharmacokinetic properties.
In conclusion, 4-Hexen-3-one (CAS No: 2497-21-4) is a multifaceted compound with significant implications across multiple scientific disciplines. Its role as an intermediate in fragrance synthesis, its biological activity, environmental compatibility, and applications in material science underscore its importance in modern chemistry. As research continues to uncover new facets of this molecule, its utility is expected to expand further, reinforcing its status as a cornerstone in both academic and industrial settings.
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