4-Methylvaleric acid
Synonym(s):4-Methylpentanoic acid;4-Methylvaleric acid;Isocaproic acid
- CAS NO.:646-07-1
- Empirical Formula: C6H12O2
- Molecular Weight: 116.16
- MDL number: MFCD00002803
- EINECS: 211-464-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-01 17:24:36
What is 4-Methylvaleric acid?
Description
4-Methylpentanoic acid has an unpleasant sour and penetrating odor.
Chemical properties
slightly brown liquid
Chemical properties
4-Methylpentanoic acid has an unpleasant, sour, penetrating odor.
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
The Uses of 4-Methylvaleric acid
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.
The Uses of 4-Methylvaleric acid
Intermediate for plasticizers, pharmaceuticalsand perfumes.
The Uses of 4-Methylvaleric acid
4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone.
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
What are the applications of 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.
Aroma threshold values
Detection: 810 ppb.
Synthesis Reference(s)
The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040
General Description
Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.
Properties of 4-Methylvaleric acid
Melting point: | -35 °C |
Boiling point: | 199-201 °C (lit.) |
Density | 0.923 g/mL at 25 °C (lit.) |
refractive index | n |
FEMA | 3463 | 4-METHYLPENTANOIC ACID |
Flash point: | 207 °F |
storage temp. | Store below +30°C. |
solubility | Chloroform (Sparingly), Methanol (Slightly) |
form | Liquid |
pka | 4.84(at 18℃) |
Specific Gravity | 0.923 |
color | Clear colorless to slightly yellow |
Odor | at 1.00 % in propylene glycol. pungent cheese |
Odor Threshold | 0.0004ppm |
Water Solubility | INSOLUBLE |
JECFA Number | 264 |
BRN | 1741912 |
Stability: | Stable. Incompatible with strong bases, strong oxidizing agents. |
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 information for 4-Methylvaleric acid
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H311:Acute toxicity,dermal H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Methylvaleric acid
InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
Abamectin manufacturer
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