4-Methylvaleric acid
- CAS No.
- 646-07-1
- Chemical Name:
- 4-Methylvaleric acid
- Synonyms
- 4-METHYLPENTANOIC ACID;PENTANOIC ACID, 4-METHYL-;ISOCAPROIC ACID;ISOHEXANOIC ACID;FEMA 3463;isohexoicacid;isocaproicaci;Isohexoic acid;Isocapronsαure;4-Methylvaleri
- CBNumber:
- CB1483316
- Molecular Formula:
- C6H12O2
- Molecular Weight:
- 116.16
- MOL File:
- 646-07-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/1 17:24:36
| Melting point | -35 °C |
|---|---|
| Boiling point | 199-201 °C (lit.) |
| Density | 0.923 g/mL at 25 °C (lit.) |
| FEMA | 3463 | 4-METHYLPENTANOIC ACID |
| refractive index |
n |
| Flash point | 207 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | 4.84(at 18℃) |
| form | Liquid |
| Specific Gravity | 0.923 |
| color | Clear colorless to slightly yellow |
| Odor | at 1.00 % in propylene glycol. pungent cheese |
| Odor Type | cheesy |
| Odor Threshold | 0.0004ppm |
| Water Solubility | INSOLUBLE |
| JECFA Number | 264 |
| BRN | 1741912 |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
| InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| LogP | 1.66 |
| CAS DataBase Reference | 646-07-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Pentanoic acid, 4-methyl-(646-07-1) |
| EPA Substance Registry System | Pentanoic acid, 4-methyl- (646-07-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H311-H314 | |||||||||
| Precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P361+P364-P405 | |||||||||
| Hazard Codes | Xn,C | |||||||||
| Risk Statements | 21-38-34 | |||||||||
| Safety Statements | 36/37-45-36/37/39-25 | |||||||||
| RIDADR | UN 2810 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | NR2975000 | |||||||||
| F | 13 | |||||||||
| TSCA | T | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29159080 | |||||||||
| NFPA 704 |
|
4-Methylvaleric acid price More Price(10)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W346306 | 4-Methylpentanoic acid ≥98%, FCC, FG | 646-07-1 | 1SAMPLE-K | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W346306 | 4-Methylpentanoic acid ≥98%, FCC, FG | 646-07-1 | 250G | ₹20318.53 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W346306 | 4-Methylpentanoic acid ≥98%, FCC, FG | 646-07-1 | 1KG | ₹49751.7 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W346306 | 4-Methylpentanoic acid ≥98%, FCC, FG | 646-07-1 | 10KG | ₹343379.83 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 277827 | 4-Methylvaleric acid 99% | 646-07-1 | 5G | ₹1948.5 | 2022-06-14 | Buy |
4-Methylvaleric acid Chemical Properties,Uses,Production
Description
4-Methylpentanoic acid has an unpleasant sour and penetrating odor.
Chemical Properties
slightly brown liquid
Occurrence
Reported found in apple, roasted barley, beef, prefermented bread, Camembert cheese, Emmenthal cheese, roasted cocoa beans, dry cured ham, hops, roasted pecans, rum, soybeans, black tea, wine, guava, papaya, strawberry fruit and jam, baked potato, bell pepper, tomato, many cheeses, fish, beef, mutton, hop oil, mushrooms, mango, rice, sake, malt, wort, dried bonito and mussels
Uses
4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2?S)-2?,4?-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.
Definition
ChEBI: A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol
Application
4-Methylvaleric acid, although identified in Nature, has found very little, if any, use in perfumes or flavors. It is mentioned mainly for the sake of completing the monographs on Methylpentanoic acids.
General Description
Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.
4-Methylvaleric acid Preparation Products And Raw materials
Raw materials
Preparation Products
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