DL-3-Methylvaleric acid
Synonym(s):(±)-3-Methylvaleric acid;3-Methylpentanoic acid
- CAS NO.:105-43-1
- Empirical Formula: C6H12O2
- Molecular Weight: 116.16
- MDL number: MFCD00002729
- EINECS: 203-297-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-01 20:20:38
What is DL-3-Methylvaleric acid?
Description
3-Methylpentanoic has a sour, herbaceous, slightly green odor. This is synthesized from the diethylester of sec-butyl-malonic acid.
Chemical properties
clear colorless to slightly yellow liquid
Occurrence
Reported 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).
The Uses of DL-3-Methylvaleric acid
3-Methylvaleric acid (3-Methylpentanoic acid) was used in the synthesis of 3-methyl-1-pentanol.
Preparation
From the diethylester of sec-butyl-malonic acid.
Definition
ChEBI: 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.
Aroma threshold values
Detection: 46 to 280 ppb
Taste threshold values
Taste 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
Properties of DL-3-Methylvaleric acid
Melting point: | -41 °C |
Boiling point: | 196-198 °C (lit.) |
Density | 0.93 g/mL at 25 °C (lit.) |
refractive index | n |
FEMA | 3437 | 3-METHYLPENTANOIC ACID |
Flash point: | 185 °F |
storage temp. | Sealed in dry,Room Temperature |
form | clear liquid |
pka | pK1:4.766 (25°C) |
Specific Gravity | 0.930 |
color | Colorless to Almost colorless |
Odor | at 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty |
Water Solubility | insoluble |
JECFA Number | 262 |
BRN | 1720696 |
CAS DataBase Reference | 105-43-1(CAS DataBase Reference) |
NIST Chemistry Reference | Pentanoic acid, 3-methyl-(105-43-1) |
EPA Substance Registry System | Pentanoic acid, 3-methyl- (105-43-1) |
Safety information for DL-3-Methylvaleric acid
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. 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 DL-3-Methylvaleric acid
InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
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