Name | 2-Methylpentanoic acid |
Synonyms | FEMA 2754 RARECHEM AL BE 0135 2-METHYLVALERIC ACID 2-Methylvaleric Acid Valericacid,2-methyl- 2-Methyl Valeric Acid 2-Methylpentanoic acid 2-METHYLPENTANOIC ACID 2-METHYL-N-VALERIC ACID 2-METHYL-N-PENTANOIC ACID N-PENTANE-2-CARBOXYLIC ACID |
CAS | 97-61-0 |
EINECS | 202-594-9 |
InChI | InChI=1/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1/t5-/m0/s1 |
Molecular Formula | C6H12O2 |
Molar Mass | 116.16 |
Density | 0.931g/mLat 25°C(lit.) |
Melting Point | -85°C |
Boling Point | 196-197°C(lit.) |
Flash Point | 196°F |
JECFA Number | 261 |
Water Solubility | Soluble in water(13g/L). |
Solubility | Soluble in water and ethanol |
Vapor Presure | 0.18mmHg at 25°C |
Appearance | Transparent liquid |
Color | Colorless to Almost colorless |
BRN | 1720655 |
pKa | pK1:4.782 (25°C) |
Storage Condition | Sealed in dry,Room Temperature |
Explosive Limit | 1.3-63%(V) |
Refractive Index | n20/D 1.414(lit.) |
MDL | MFCD00002671 |
Physical and Chemical Properties | Colorless to pale yellow liquid. It is caramelized and pungent. Boiling point 196~197 ℃. Soluble in ethanol. |
Hazard Symbols | C - Corrosive |
Risk Codes | 34 - Causes burns |
Safety Description | 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 the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
UN IDs | UN 3265 8/PG 2 |
WGK Germany | 3 |
RTECS | YV7700000 |
TSCA | Yes |
HS Code | 29156000 |
Hazard Class | 8 |
Packing Group | III |
FEMA | 2754 | 2-METHYLVALERIC ACID |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
fragrance application | 2-methylpentanoic acid, also known as methyl propyl acetic acid, α-methylpentanoic acid, pentane-2-carboxylic acid, soluble in water and miscible with ethanol and certain essential oils. It is a solid at room temperature and a colorless liquid above room temperature. Aroma: strong pungent smell, sour when the concentration is high. Trace for food flavor, in the imitation of cocoa and chocolate flavor, mainly used as raw materials for the production of esters. It can be produced catalytically by 2-methylvaleraldehyde and can also be produced by 2-chloropentane with sodium and carbon dioxide under pressure. |
content analysis | accurately weigh about 2.0g of sample, and move it into a triangle flask containing 75 ~ of water, phenolphthalein indicator (TS-167) was added and titrated with 0.5mol/L NaOH. Each ml of 0.5mol/L NaOH corresponds to 58.08mg of 2-methylvaleric acid. |
toxicity | GRAS(FEMA;FDA,§ 172.515,2000). |
Use | FEMA(mg/kg): Candy 0.80. Moderate limits (FDA,§ 172.515,2000). |
production method | propionaldehyde is prepared by aldol condensation, dehydroxylation, hydrogenation and oxidation under the catalysis of dilute alkali. |