DL-3-Methylvaleric acid

DL-3-Methylvaleric acid Basic information
Product Name:DL-3-Methylvaleric acid
Synonyms:(+/-)-3-METHYLVALERIC ACID;3-METHYLVALERIC ACID;3-METHYLPENTANOIC ACID;3-METHYL-N-VALERIC ACID;3-METHYL-N-PENTANOIC ACID;2-Methyl butane-1-carboxylic acid;FEMA 3437;FEMA NUMBER 3437
CAS:105-43-1
MF:C6H12O2
MW:116.16
EINECS:203-297-7
Product Categories:Building Blocks;C6;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
Mol File:105-43-1.mol
DL-3-Methylvaleric acid Structure
DL-3-Methylvaleric acid Chemical Properties
Melting point -41 °C
Boiling point 196-198 °C (lit.)
density 0.93 g/mL at 25 °C (lit.)
FEMA 3437 | 3-METHYLPENTANOIC ACID
refractive index n20/D 1.416(lit.)
Fp 185 °F
storage temp. Sealed in dry,Room Temperature
form clear liquid
pkapK1:4.766 (25°C)
color Colorless to Almost colorless
Specific Gravity0.930
Odorat 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty
Odor Typeanimal
Water Solubility insoluble
JECFA Number262
BRN 1720696
InChIKeyIGIDLTISMCAULB-UHFFFAOYSA-N
LogP1.66
CAS DataBase Reference105-43-1(CAS DataBase Reference)
NIST Chemistry ReferencePentanoic acid, 3-methyl-(105-43-1)
EPA Substance Registry SystemPentanoic acid, 3-methyl- (105-43-1)
Safety Information
Hazard Codes C
Risk Statements 34
Safety Statements 26-36/37/39-45
RIDADR UN 3265 8/PG 2
WGK Germany 3
13
Hazard Note Corrosive
TSCA T
HazardClass 8
PackingGroup II
HS Code 29159080
MSDS Information
ProviderLanguage
DL-3-Methylvaleric acid English
SigmaAldrich English
ACROS English
ALFA English
DL-3-Methylvaleric acid Usage And Synthesis
Description3-Methylpentanoic has a sour, herbaceous, slightly green odor. This is synthesized from the diethylester of sec-butyl-malonic acid.
Chemical Propertiesclear colorless to slightly yellow liquid
OccurrenceReported found in the oil from tobacco leaves (d-form), baked potato, parmesan, provolone and romano cheese, goat and sheep cheese, lamb fat, rum, cocoa, black tea and chempedak (Arthocarpus polyphema).
Uses3-Methylvaleric acid (3-Methylpentanoic acid) was used in the synthesis of 3-methyl-1-pentanol.
DefinitionChEBI: 3-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. It has a role as a plant metabolite, an animal metabolite, a fungal metabolite and a flavouring agent. It is a methyl-branched fatty acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a monocarboxylic acid. It is a conjugate acid of a 3-methylvalerate.
PreparationFrom the diethylester of sec-butyl-malonic acid.
Aroma threshold valuesDetection: 46 to 280 ppb
Taste threshold valuesTaste characteristics at 30 ppm: sour, cheesey, fresh with fruity notes
Synthesis Reference(s)Journal of the American Chemical Society, 75, p. 6342, 1953 DOI: 10.1021/ja01120a539
The Journal of Organic Chemistry, 65, p. 397, 2000 DOI: 10.1021/jo991218a
Organic Syntheses, Coll. Vol. 2, p. 416, 1943
DL-3-Methylvaleric acid Preparation Products And Raw materials
Raw materialsDIETHYL SEC-BUTYLMALONATE
Estradiol valerate MAGNESIUM DIPROPYLACETATE HYDRATE Methyl Ethyl 2-(Chlorosulfonyl)acetate Ascoric Acid Parathion-methyl DL-Malic acid Pivalic acid Folic acid Tribenuron methyl Kresoxim-methyl 2-Propylpentanoic acid CARBOXYLIC ACID Methyl salicylate N-BUTANE Methyl acetate Methyl bromide Citric acid

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