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HomeProduct name list4-Methylvaleric acid

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
4-Methylvaleric acid Structural

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  n20/D 1.414(lit.)
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)
ghs
Corrosion
Corrosives
GHS05
ghs
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

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