| Company Name: |
Sigma-Aldrich |
| Tel: |
021-61415566 800-8193336 |
| Email: |
orderCN@merckgroup.com |
|
| | Pentanoic-d9 acid Basic information |
| Product Name: | Pentanoic-d9 acid | | Synonyms: | VALERIC ACID (D9);VALERIC-D9 ACID;PENTANOIC ACID (D9);VALERIC-D9 ACID, 98 ATOM % D;Valeric-d9 acid,Pentanoic-d9 acid;2,2,3,3,4,4,5,5,5-nonadeuteriopentanoicaci;Pentanoic acid-d;Valeric-d9 acid | | CAS: | 115871-50-6 | | MF: | C5HD9O2 | | MW: | 111.19 | | EINECS: | | | Product Categories: | | | Mol File: | 115871-50-6.mol |  |
| | Pentanoic-d9 acid Chemical Properties |
| Melting point | -20--18 °C(lit.) | | Boiling point | 185 °C(lit.) | | density | 1.022 g/mL at 25 °C | | refractive index | n20/D 1.4076(lit.) | | Fp | 192 °F | | storage temp. | Store at -20°C | | solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml | | form | A liquid | | color | Colorless to light yellow | | InChI | 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2 | | InChIKey | NQPDZGIKBAWPEJ-YNSOAAEFSA-N | | SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O | | CAS Number Unlabeled | 109-52-4 |
| Hazard Codes | C,Xi,F | | Risk Statements | 34-52/53-41-38-11 | | Safety Statements | 26-36-45-61-39-33-16 | | RIDADR | UN 3265 8/PG 3 | | WGK Germany | 3 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1B |
| | Pentanoic-d9 acid Usage And Synthesis |
| Description | Pentanoic acid-d9 is intended for use as an internal standard for the quantification of pentanoic acid by GC- or LC-MS. Pentanoic acid is a short-chain saturated fatty acid. It has been found in the essential oil of V. alliariifolia and in goat milk. The levels of pentanoic acid are higher in stool samples from patients with colorectal cancer. | | Uses | Pentanoic-d9 Acid can be intended for use as an internal standard for the quantification of Pentanoic Acid by GC- or LC-mass spectrometry. | | References | [1] TIFFANY L WEIR. Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults.[J]. PLoS ONE, 2013: e70803. DOI: 10.1371/journal.pone.0070803
[2] AVAT ARMAN TAHERPOUR. Chemical composition of the essential oil of Valeriana alliariifolia Adams of Iran.[J]. Natural Product Research, 2010, 24 10: 973-978. DOI: 10.1080/14786410902900010
[3] AMANDA M.S. SANT’ANA . Fatty acid, volatile and sensory profiles of milk and cheese from goats raised on native semiarid pasture or in confinement[J]. International Dairy Journal, 2019, 91: Pages 147-154. DOI: 10.1016/j.idairyj.2018.09.008
[4] RUI HAN. Valeric Acid Suppresses Liver Cancer Development by Acting as a Novel HDAC Inhibitor.[J]. Molecular Therapy Oncolytics, 2020, 19: 8-18. DOI: 10.1016/j.omto.2020.08.017
[5] YUAN LI. Gut commensal derived-valeric acid protects against radiation injuries.[J]. Gut Microbes, 2020: 789-806. DOI: 10.1080/19490976.2019.1709387 |
| | Pentanoic-d9 acid Preparation Products And Raw materials |
|