Cas no 112-12-9 (2-Undecanone)
2-Undecanone Chemical and Physical Properties
Names and Identifiers
-
- 2-Undecanone
- Methyl n-nonyl ketone
- FEMA 3093
- METHYL NONYL KETONE
- 2-hendecanone
- 2-Undecanon
- Ketone, methyl nonyl
- Methyl-nonylketon
- 2-Undecanone Solution
- Undecan-2-one (Methyl-nonyl-ketone) Standard
- 10-undecanal
- 2-Undecanon-2,4-dinitrophenylhydrazon
- Methyl-n-nonylketon-2,4-DNPH
- Methyl-nonyl-keton-<2.4-dinitro-phenylhydrazon>
- Undecan-2-on-<2.4-dinitro-phenylhydrazon>
- Undecan-2-one
- undecan-2-
- Undecan-2-on
- Undecanone-(2)
- 2-eleven ketone
- UNDECANONE
- Nonyl methyl ketone
- Rue ketone
- 2-Oxoundecane
- Methylnonylketone
- MGK Dog and Cat Repellent
- Caswell No. 573O
- 2-Undecanone (natural)
- FEMA No. 3093
- Mgk dog & cat repellent
- YV5DSO8CY9
- EPA Pesticide Chemical Code 044102
- NSC4028
- KYWIYKKSMDLRDC-UHFFFAOYSA-N
- 2-Undecan
-
- MDL： MFCD00009583
- Inchi： 1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
- InChI Key： KYWIYKKSMDLRDC-UHFFFAOYSA-N
- SMILES： CCCCCCCCCC(=O)C
- BRN： 1749573
Computed Properties
- Exact Mass: 170.16700
- Monoisotopic Mass: 170.167065321 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 108
- 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: 4.1
- Topological Polar Surface Area: 17.1
- Molecular Weight: 170.29
- Surface Charge: 0
- Tautomer Count: 3
Experimental Properties
- Color/Form: It is a colorless oily liquid with a greasy smell. It has a unique aroma similar to rutin. When the concentration is low, it has a aroma similar to peach.
- Density: 0.825?g/mL?at 25?°C(lit.)
- Melting Point: 11-13?°C (lit.)
- Boiling Point: 231-232?°C(lit.)
- Flash Point: Degrees Fahrenheit:192.2°F
Degrees Celsius:89°C - Refractive Index: n20/D 1.43(lit.)
- Solubility: Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform.
- Water Partition Coefficient: Insoluble
- Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
- PSA: 17.07000
- LogP: 3.71610
- Odor: Strong odor
- Refractive Index: Index of refraction = 1.4291 at 20 °C/D
- Merck: 14,6104
- Vapor Pressure: <1 mmHg ( 20 °C)
- FEMA: 3093
- Solubility: Soluble in ether and alcohol, insoluble in water
2-Undecanone Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H319,H410
- Warning Statement： P273,P305+P351+P338,P501
- Hazardous Material transportation number：UN3082
- WGK Germany：2
- Hazard Category Code： 51/53
- Safety Instruction： S23-S24/25-S61
- RTECS：YQ2820000
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：9
- Safety Term：9
- Packing Group：III
- Risk Phrases：R51/53
- HazardClass：Comb liq
- PackingGroup：III
- TSCA：Yes
- Toxicity：LD50 dermally in rabbits: >5 g/kg; LD50 orally in rats, mice: >5, 3.88 g/kg (Opdyke)
- Storage Condition：Store at room temperature
2-Undecanone Customs Data
- HS CODE：2914190090
- Customs Data：
China Customs Code:
2914190090Overview:
2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
2-Undecanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | U1303-5ML |
2-Undecanone |
112-12-9 | 5ml |
￥123.44 | 2023-11-03 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | U1303-250ML |
2-Undecanone |
112-12-9 | 250ml |
￥596.21 | 2023-11-03 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309303-SAMPLE-K |
2-Undecanone |
112-12-9 | ≥98%, FCC, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309303-250G-K |
2-Undecanone |
112-12-9 | ≥98%, FCC, FG | 250G |
1029.64 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309303-1KG-K |
2-Undecanone |
112-12-9 | ≥98%, FCC, FG | 1KG |
2779.96 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309303-4KG-K |
2-Undecanone |
112-12-9 | ≥98%, FCC, FG | 4KG |
7567.87 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309303-8KG-K |
2-Undecanone |
112-12-9 | ≥98%, FCC, FG | 8KG |
8779.7 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309311-SAMPLE-K |
2-Undecanone |
112-12-9 | natural, FCC, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309311-100G-K |
2-Undecanone |
112-12-9 | natural, FCC, FG | 100G |
2471.08 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W309311-1KG-K |
2-Undecanone |
112-12-9 | natural, FCC, FG | 1KG |
12589.22 | 2021-05-17 |
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2-Undecanone Related Literature
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1. CLVIII.—The constituents of an essential oil of rueFrederick B. Power,Frederic H. Lees J. Chem. Soc. Trans. 1902 81 1585
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2. XII.—Interactions of ketones and aldehydes with acid chlorides—the formation of benzoxyolefines and 1-benzoxycampheneFrederick Herbert Lees J. Chem. Soc. Trans. 1903 83 145
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Sibao Liu,Rameswar Bhattacharjee,Sha Li,Andrew Danielson,Tobias Mazal,Basudeb Saha,Dionisios G. Vlachos Green Chem. 2020 22 7896
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Sibao Liu,Rameswar Bhattacharjee,Sha Li,Andrew Danielson,Tobias Mazal,Basudeb Saha,Dionisios G. Vlachos Green Chem. 2020 22 7896
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Md. Raihan Sarkar,Stephen G. Bell Catal. Sci. Technol. 2020 10 5983
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Ketones
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones
- Natural Products and Extracts Flavors and Fragrances Essential Oils
- Pharmaceutical and Biochemical Products Pharmaceutical Active Ingredients Reference Substances
- Pharmaceutical and Biochemical Products Pharmaceutical Active Ingredients Standard Substances
- Natural Products and Extracts Flavors and Fragrances
Additional information on 2-Undecanone
Properties and Applications of 2-Undecanone (CAS No. 112-12-9)
2-Undecanone (CAS No. 112-12-9) is an organic compound belonging to the ketone class, characterized by a 11-carbon straight-chain structure with a carbonyl group positioned at the second carbon atom. This chemical entity, also known as undecanal, is widely recognized for its distinctive fruity odor, which is often reminiscent of bananas and apples. The compound’s molecular formula, C??H??O, reflects its hydrophobic nature and its classification as an aliphatic ketone.
The synthesis of 2-Undecanone (CAS No. 112-12-9) can be achieved through various chemical pathways, including the oxidation of undecane or the decarboxylation of undecanoic acid. Its production is typically carried out in controlled industrial settings where precise temperature and catalyst control are essential to ensure high yield and purity. The compound’s stability under standard conditions makes it suitable for industrial applications without requiring specialized storage solutions.
In recent years, 2-Undecanone (CAS No. 112-12-9) has garnered significant attention in the field of olfaction and flavor chemistry due to its potent aroma profile. Researchers have been exploring its potential in synthetic fragrance formulations, where it serves as a key note to impart tropical fruitiness. Its application extends to the food industry as well, where it is used in small concentrations to enhance the sensory experience of various products.
Moreover, the pharmacological properties of 2-Undecanone (CAS No. 112-12-9) have been subjects of academic interest. Studies have indicated that this compound may exhibit mild sedative effects when administered in controlled environments, although further research is necessary to fully understand its mechanisms of action. The compound’s interaction with certain neurotransmitter pathways has been hypothesized to contribute to its observed behavioral effects.
The industrial relevance of 2-Undecanone (CAS No. 112-12-9) extends beyond its olfactory applications. It serves as a precursor in the synthesis of more complex organic molecules, including certain pharmaceutical intermediates and specialty chemicals. The ability to functionalize the carbonyl group and the alkyl chain presents versatile synthetic opportunities for chemists working in drug development and material science.
Recent advancements in green chemistry have prompted investigations into sustainable methods for producing 2-Undecanone (CAS No. 112-12-9). Biocatalytic routes, leveraging enzymes such as ketone reductases or oxidases, have been explored as environmentally friendly alternatives to traditional chemical synthesis. These biotechnological approaches not only reduce the environmental footprint but also offer improved selectivity and yield under mild reaction conditions.
The analytical characterization of 2-Undecanone (CAS No. 112-12-9) relies on a suite of modern spectroscopic techniques such as nuclear magnetic resonance (NMR), infrared spectroscopy (IR), and gas chromatography-mass spectrometry (GC-MS). These methods provide detailed insights into the compound’s molecular structure and purity, ensuring that it meets stringent quality standards for industrial and research applications.
In conclusion, 2-Undecanone (CAS No. 112-12-9) represents a multifaceted compound with broad applications across multiple industries. From enhancing sensory experiences in fragrances and food products to serving as a key intermediate in pharmaceutical synthesis, its versatility underscores its importance in modern chemistry. As research continues to uncover new possibilities for this molecule, its role in science and industry is likely to expand further.
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