| Identification | More | [Name]
4-METHYLNONANOIC ACID | [CAS]
45019-28-1 | [Synonyms]
4-METHYLNONANOIC ACID
4-METHYLPELARGONIC ACID
FEMA 3574
FEMA NUMBER 3574
4-methyl-nonanoicaci
4-methylnonan-1-oic acid
4-METHYLNONANOIC ACID 97+%
Nonanoic acid, 4-methyl-
4-Methylnonan-1-sure
METHYLNONANSAEURE, 4-(ISODECANSAEURE) | [EINECS(EC#)]
256-180-8 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00051789 | [Molecular Weight]
172.26 | [MOL File]
45019-28-1.mol |
| Chemical Properties | Back Directory | [Boiling point ]
292-293 °C (lit.) | [density ]
0.871 g/mL at 25 °C(lit.)
| [FEMA ]
3574 | [refractive index ]
n20/D 1.4355(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [pka]
4.80±0.10(Predicted) | [Appearance]
Colorless to light yellow Liquid | [Odor]
at 1.00 % in propylene glycol. meaty pork lamb chicken | [biological source]
synthetic | [Odor Type]
meaty | [JECFA Number]
274 | [BRN ]
1758201 | [Major Application]
flavors and fragrances | [InChI]
1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) | [InChIKey]
WQTZCQIRCYSUBQ-UHFFFAOYSA-N | [SMILES]
CCCCCC(C)CCC(O)=O | [LogP]
3.78 | [CAS DataBase Reference]
45019-28-1(CAS DataBase Reference) | [EPA Substance Registry System]
Nonanoic acid, 4-methyl- (45019-28-1) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R43:May cause sensitization by skin contact.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
2
| [TSCA ]
Yes | [HS Code ]
2915.90.1800 | [HazardClass ]
8 | [PackingGroup ]
III | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
4-Methylnonanoic acid has a costus, animal odor. | [Occurrence]
Reported found in cooked mutton fat, romano cheese, sheep and goat cheese and raw and cooked mutton | [Uses]
flavors and fragrances | [Definition]
ChEBI: 4-Methylnonanoic acid is a medium-chain fatty acid. | [Synthesis]
Reaction of hept-1-ene with EtMgCl in THF in the presence of TaCl5-(i-OPr)3P catalyst [EtMgCl-hept-1-ene-TaCl5-(i-OPr)3P, 24:20:1]; TaCl5-(i-OPr)3P, 1:1; EtMgCl in THF at a concentration of 0.5 mM; 20 °C; at room temperature The reaction was carried out at room temperature for 3 h to form organomagnesium compound 2. The procedure was as follows: to a solution of EtMgCl (12 mmol) in THF (24 mL) was added hept-1-ene (10 mmol, 1.4 mL), TaCl5 (0.2 g, 0.5 mmol) and (i-OPr)3P (0.1 g, 0.5 mmol). CO2 was slowly passed into the resulting mixture for 3 h at 0°C. After completion of the reaction, the mixture was treated with 10% HCl solution (15 mL) to afford carboxylic acid 3 (1.7 g, 97%, boiling point 272 °C, 750 mmHg). The product was analyzed by IR spectroscopy (1710 cm-1 ), PMR spectroscopy (0.88-0.92 ppm, 2H, m; 1.16-1.52 ppm, 10H, m; 1.56-1.80 ppm, 1H, m; 2.28-2.38 ppm, 2H, m; 11.40 ppm, 1H, s), and 13C NMR spectroscopy (14.03, 19.75, 23.19, 28.30, 31.83, 31.97, 32.27, 33.10, 37.10, 179.37 ppm) for characterization. Finally, the reaction mixture was extracted with Et2O (3 × 50 mL) and the extract was dried with anhydrous MgSO4 and evaporated. | [References]
[1] Chemistry of Natural Compounds, 2018, vol. 54, # 1, p. 218 - 219
[2] Khim. Prir. Soedin., 2018, # 1, p. 181,1 |
|
|