Cas no 115871-50-6 (Pentanoic acid-d)
Pentanoic acid-d Chemical and Physical Properties
Names and Identifiers
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- Pentanoic-d9 acid (9CI)
- Valeric Acid-d9
- (1,2,2,2-tetradeuterio-1-trideuteriomethyl-ethyl)-benzene
- [2H9]valeric acid
- < 2H6> cumene
- < 2H6> -Diethylketon
- < 2H9> valeric acid
- 1,1,1,5,5,5-hexadeuterio-pentan-3-one
- 3-Pentanon-1.1.1-5.5.5-d6
- Cumene-isopropyl-d7
- isopropylbenzene-d7
- Isopropyl-d7-benzene
- Pentan-3-on-1,1,1,5,5,5-d6
- perdeuterated pentanoic acid
- VALERIC-D9 ACID
- VALERIC ACID (D9)
- PENTANOIC-D9 ACID
- PENTANOIC ACID (D9)
- Valeric-d9 acid,Pentanoic-d9 acid
- VALERIC-D9 ACID, 98 ATOM % D
- Pentanoic acid-d
- SCHEMBL7937405
- 115871-50-6
- 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoic acid
- A935643
- pentanoic-d9
- (?H?)pentanoic acid
- (~2~H_9_)Pentanoic acid
- J-003329
- D99088
- DTXSID60672929
- Pentanoic Acid-d9
- Pentanoic-d9Acid:(115871-50-6)
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- Inchi: 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2
- InChI Key: NQPDZGIKBAWPEJ-YNSOAAEFSA-N
- SMILES: OC(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O
Computed Properties
- Exact Mass: 104.18606
- Monoisotopic Mass: 111.124570271g/mol
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 59.1
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.022?g/mL?at 25?°C
- Melting Point: -20--18?°C(lit.)
- Boiling Point: 185?°C(lit.)
- Flash Point: 192?°F
- Refractive Index: n20/D 1.4076(lit.)
- PSA: 17.07
- Solubility: Not determined
- Vapor Pressure: No data available
Pentanoic acid-d Security Information
- Signal Word:Danger
- Hazard Statement: H302 (100%) H314 (100%)
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number:UN 3265 8/PG 3
- WGK Germany:3
- Hazard Category Code: 34-52/53-41-38-11
- Safety Instruction: 26-36-45-61-39-33-16
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Hazardous Material Identification:
- Risk Phrases:34-52/53
- Storage Condition:Store at 4 ° C, -4 ° C is better
Pentanoic acid-d Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | V091417-50mg |
Valeric Acid-d9 |
115871-50-6 | 50mg |
$ 91.00 | 2023-09-05 | ||
| TRC | V091417-100mg |
Valeric Acid-d9 |
115871-50-6 | 100mg |
$ 167.00 | 2023-09-05 | ||
| TRC | V091417-250mg |
Valeric Acid-d9 |
115871-50-6 | 250mg |
$ 323.00 | 2023-09-05 | ||
| TRC | V091417-500mg |
Valeric Acid-d9 |
115871-50-6 | 500mg |
$626.00 | 2023-05-17 | ||
| TRC | V091417-1g |
Valeric Acid-d9 |
115871-50-6 | 1g |
$1148.00 | 2023-05-17 | ||
| TRC | V091417-2.5g |
Valeric Acid-d9 |
115871-50-6 | 2.5g |
$2325.00 | 2023-05-17 | ||
| Larodan | 71-0509-12-500mg |
Pentanoic-D9 acid |
115871-50-6 | >95% | 500mg |
€253.00 | 2025-03-07 | |
| Larodan | 71-0509-13-1g |
Pentanoic-D9 acid |
115871-50-6 | >95% | 1g |
€460.00 | 2025-03-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02091-5g |
Pentanoic-d9 acid (9CI) |
115871-50-6 | 99% (CP) | 5g |
¥16478.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X79195-100mg |
Pentanoic-d9 acid (9CI) |
115871-50-6 | BR | 100mg |
¥598.0 | 2023-09-05 |
Pentanoic acid-d Suppliers
Pentanoic acid-d Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on Pentanoic acid-d
Comprehensive Guide to Pentanoic acid-d (CAS No. 115871-50-6): Properties, Applications, and Industry Insights
Pentanoic acid-d, also known as deuterated valeric acid, is a stable isotope-labeled compound with the CAS registry number 115871-50-6. This deuterated derivative of pentanoic acid has garnered significant attention in pharmaceutical research, metabolic studies, and analytical chemistry due to its unique isotopic properties. The compound's molecular formula is C5D9O2, where hydrogen atoms are replaced by deuterium (D), enhancing its utility in NMR spectroscopy and mass spectrometry applications.
In recent years, the demand for deuterated compounds like Pentanoic acid-d has surged, driven by advancements in drug discovery and precision medicine. Researchers frequently search for "deuterated valeric acid uses" or "CAS 115871-50-6 applications," reflecting growing interest in isotopic labeling techniques. The compound's ability to serve as a tracer in metabolic pathways makes it invaluable for studying lipid metabolism and gut microbiome interactions—a hot topic in 2024's health science discussions.
The synthesis of Pentanoic acid-d involves carefully controlled deuteration processes to achieve high isotopic purity (>98% D), a critical factor for reliable experimental results. Analytical laboratories often pair this compound with techniques like LC-MS (Liquid Chromatography-Mass Spectrometry) when investigating "short-chain fatty acid metabolism" or "isotope dilution analysis." Its stability under physiological conditions allows for long-term tracking in biological systems, addressing common researcher queries about "deuterium labeling longevity."
From an industrial perspective, 115871-50-6 plays a role in developing deuterated pharmaceuticals—a field experiencing 30% annual growth according to recent market reports. Pharmaceutical companies explore "deuterium in drug design" to enhance pharmacokinetic profiles, leveraging compounds like Pentanoic acid-d as building blocks. This aligns with the trending search term "deuterated drug candidates 2024," highlighting the compound's relevance in next-generation therapeutics.
Environmental scientists have also adopted Pentanoic acid-d for ecological studies, particularly in tracing "carbon cycling in ecosystems." Its negligible natural abundance eliminates background interference, making it ideal for sensitive detection methods. The compound's water solubility and volatility characteristics (often searched as "pentanoic acid-d physical properties") enable diverse experimental setups from soil analyses to atmospheric chemistry research.
Quality control specifications for CAS 115871-50-6 typically include deuterium enrichment verification, residual solvent analysis, and spectroscopic purity confirmation. These parameters directly respond to frequent purchaser inquiries about "deuterated compound purity standards." Storage recommendations (usually -20°C under inert atmosphere) and handling precautions are equally important considerations for end-users, as evidenced by search trends like "stable isotope storage best practices."
The global supply chain for Pentanoic acid-d reflects increasing regional specialization, with current market analyses showing heightened demand from North American and European research hubs. Procurement specialists often search for "deuterated valeric acid suppliers" alongside regulatory documentation needs, underscoring the importance of transparent supply channels for specialized chemicals.
Emerging applications in nutraceutical research have further expanded the compound's utility, particularly in studies examining "dietary fiber fermentation" and "SCFA health benefits" (short-chain fatty acids). This interdisciplinary relevance makes 115871-50-6 a cross-cutting tool in life sciences, answering contemporary research questions about host-microbiome interactions—a dominant theme in 2024's scientific discourse.
Technical literature about Pentanoic acid-d frequently appears alongside discussions of isotopic labeling strategies, with particular emphasis on optimizing signal-to-noise ratios in complex matrices. Researchers comparing "D vs 13C labeling" or "quantitative NMR methods" will find this compound's distinctive spectral signatures advantageous for method development and validation studies.
Future outlooks suggest expanding roles for deuterated short-chain fatty acids in clinical diagnostics and personalized nutrition. As precision medicine advances, compounds like Pentanoic acid-d (CAS 115871-50-6) will likely see increased adoption in biomarker discovery and therapeutic monitoring protocols—addressing the persistent industry need for reliable metabolic tracers with well-characterized properties.
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