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646-07-1 Usage


4-Methylvaleric acid, also known as 4-Methylpentanoic acid, is 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 and has an unpleasant, sour, and penetrating odor. The chemical properties of 4-Methylvaleric acid include an unpleasant, sour, penetrating odor with an aroma threshold value of 810 ppb.


1. Used in Chemical Synthesis:
4-Methylvaleric acid is used as an intermediate for the synthesis of various compounds, including plasticizers, pharmaceuticals, and perfumes. It serves as a versatile building block in the creation of different products due to its unique chemical structure.
2. Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Methylvaleric acid is used as a key component in the asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone. 4-Methylvaleric acid is a vital building block for the synthesis of various pharmaceutical and biologically active compounds, such as inhibitors and antagonists. It is also involved in the synthesis of a novel series of high affinity, functionally potent antagonists of the CCR1 receptor.
3. Used in Flavor and Fragrance Industry:
4-Methylvaleric acid is found in various natural sources, including 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. Due to its presence in these sources, it can be used in the flavor and fragrance industry to create natural and authentic scents and flavors.
4. Used in Analytical Chemistry:
The conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported. This indicates that 4-Methylvaleric acid can be used in analytical chemistry for the detection and analysis of various compounds in different samples.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040

Check Digit Verification of cas no

The CAS Registry Mumber 646-07-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 6 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 646-07:
71 % 10 = 1
So 646-07-1 is a valid CAS Registry Number.

646-07-1 Well-known Company Product Price

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  • CAS number
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  • Alfa Aesar

  • (A15405)  4-Methylvaleric acid, 99%   

  • 646-07-1

  • 5g

  • 280.0CNY

  • Detail
  • Alfa Aesar

  • (A15405)  4-Methylvaleric acid, 99%   

  • 646-07-1

  • 25g

  • 430.0CNY

  • Detail
  • Alfa Aesar

  • (A15405)  4-Methylvaleric acid, 99%   

  • 646-07-1

  • 100g

  • 1465.0CNY

  • Detail



According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017


1.1 GHS Product identifier

Product name isocaproic acid

1.2 Other means of identification

Product number -
Other names Pentanoic acid, 4-methyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:646-07-1 SDS

646-07-1Relevant articles and documents


Rabe, T.,Rabe, D.,Bierwirth, A.-M.,Runnebaum, B.

, p. 555 - 572 (1981)

Cholesterol side chain cleavage is determined by means of separation of (26-14C)-cholesterol and its radioactively labeled side chain (1-14C)-isocaproic acid.Alumina minicolumn assay (AMCA): adsorption of cholesterol from an aqueous phase by aluminium oxide, while isocaproic acid can percolate through the column.In modification of a previously described technique, cholesterol is quantitatively eluted by ethanol.Filter assay (FA): retention of cholesterol by a membrane filter (pore size =/ 0.1 μm) while isocaproic acid can pass the filter.Two-phase scintillation assay (TPSA): pH-dependent partition of isocaproic acid between an organic scintillation mixture and an aqueous phase.The TPSA can be applied for all enzymatic reactions in which the polarity of the radioactive residue which is split off depends on pH values or when the total charge of apolar molecule is changed to an apolar state by cleaving one non-radioactive group (e.g. steroid sulfates) and vice versa.The criteria of reliability of the test systems are described.Bovine adrenal mitochondria were incubated and the side chain cleavage of (26-14C)-cholesterol was studied by the new test systems and compared to the conversion rates of (4-14C)-cholesterol to its metabolites as determined by thin layer chromatography.A good agreement of all tests was found.

Preparation method of carboxylic acid compound


Paragraph 0113; 0151-0153, (2017/08/29)

The invention provides a preparation method of a carboxylic acid compound. The preparation method comprises the following step of taking a lactone component to react with hydrogen in the presence of a compound catalyst to obtain the carboxylic acid compound. The compound catalyst comprises a hydrogenation catalyst and Lewis acid. In the presence of the compound catalyst comprising the hydrogenation catalyst and the Lewis acid, the lactone component is subjected to hydrogenation ring-opening reaction to obtain the carboxylic acid compound. The preparation method has the advantages of moderate reaction conditions and high yield; compared with a traditional method, less byproducts are generated, green and chemical requirements are met and the industrial value is better.



Page/Page column 26; 27, (2016/02/26)

The present invention relatesto a method of producing at least one alkane, the method comprising, -producing at least one carboxylic acid from a carbon source using a genetically modified microorganism, and -performing Kolbe electrolysis on the carboxylic acid to produce the alkane, wherein the alkane comprises at least 6 carbon atoms and the carboxylic acid comprises at least 4 carbon atomsand wherein the carbon source is selected from the group consisting of ethanol, acetate, propionate, butyrate, isobutyrate, valerate, hexanoate and combinations thereof and the microorganism is capable of producing the carboxylic acid using ethanol-carboxylate fermentation.

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