Introduction：Basic information about DL-3-Methylvaleric acid CAS 105-43-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
DL-3-Methylvaleric acid Basic information
| Product Name: | DL-3-Methylvaleric acid |
| Synonyms: | 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;DL-3-METHYLVALERIC ACID |
| CAS: | 105-43-1 |
| MF: | C6H12O2 |
| MW: | 116.16 |
| EINECS: | 203-297-7 |
| Product Categories: | Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;C6 |
| Mol File: | 105-43-1.mol |
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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 |
| pka | pK1:4.766 (25°C) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.930 |
| Odor | at 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty |
| Odor Type | animal |
| biological source | synthetic |
| Water Solubility | insoluble |
| JECFA Number | 262 |
| BRN | 1720696 |
| InChI | 1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| SMILES | CCC(C)CC(O)=O |
| LogP | 1.66 |
| 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
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| F | 13 |
| Hazard Note | Corrosive |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29159080 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
DL-3-Methylvaleric acid Usage And Synthesis
| 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). |
| Uses | 3-Methylvaleric acid (3-Methylpentanoic acid) was used in the synthesis of 3-methyl-1-pentanol. |
| 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. |
| Preparation | From the diethylester of sec-butyl-malonic acid. |
| 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 |
DL-3-Methylvaleric acid Preparation Products And Raw materials
| Raw materials | DIETHYL SEC-BUTYLMALONATE |
