FEMA No. 3191
2-methylhexanoic acid
CAS: 4536-23-6
Molecular Formula: C7H14O2
FEMA No. 3191 - Names and Identifiers
| Name | 2-methylhexanoic acid |
| Synonyms | FEMA 3191 BRN 1721227 FEMA No. 3191 UNII-LUK37N0QM8 FEMA NUMBER 3191 2-Methylhexansαure CARBOXYLIC ACID C7 Methylhexanoic acid 2-Methylcaproic acid 2-methyl-hexanoicaci 2-Methylhexanoic acid 2-methylhexanoic acid 2-hexanecarboxylicacid (2S)-2-methylhexanoate (2R)-2-methylhexanoate 2-Hexanecarboxylic acid alpha-Methylcaproic acid Hexanoic acid, 2-methyl- 4-02-00-00969 (Beilstein Handbook Reference) |
| CAS | 4536-23-6 |
| EINECS | 224-883-9 |
| InChI | InChI=1/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m0/s1 |
FEMA No. 3191 - Physico-chemical Properties
| Molecular Formula | C7H14O2 |
| Molar Mass | 130.18 |
| Density | 0.918 g/mL at 25 °C (lit.) |
| Melting Point | -55.77°C (estimate) |
| Boling Point | 209-210 °C (lit.) |
| Flash Point | 222°F |
| JECFA Number | 265 |
| Water Solubility | Soluble in water |
| Vapor Presure | 0.0576 mmHg ( 25 °C)(lit.) |
| Appearance | clear liquid |
| Specific Gravity | 0.916 |
| Color | Colorless to Light yellow |
| BRN | 1721227 |
| pKa | 4.82±0.21(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.422(lit.) |
| MDL | MFCD00002674 |
FEMA No. 3191 - Risk and Safety
| 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.) |
| UN IDs | UN 3265 8/PG 2 |
| WGK Germany | 2 |
| RTECS | MO8400600 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
FEMA No. 3191 - Reference Information
| FEMA | 3191 | 2-METHYLHEXANOIC ACID |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Flavor and fragrance application | 2-methylhexanoic acid is also known as 2-butylpropionic acid, butylmethylacetic acid, hexan-2-carboxylic acid, English 2-methylhexanoic acid,FEMA number is 3191. It is a colorless oily liquid at room temperature. The isomers with optical rotation can be miscible with water, ether, ethanol, chloroform and other solvents. It is naturally found in apples and strawberries. Aroma: acidic, greasy fat, lard, chicken fat flavor, with baked appetizing dishes aroma. Taste: dairy products, cream flavor, greasy fat flavor. Used in food processing flavors such as lard, chicken fat, appetizing dishes and dairy products. It can be made into Grignard reagent by chlorination with secondary hexanol as raw material, and then the dry carbon dioxide gas is passed into the reaction solution of Grignard reagent, reacted, and then hydrolyzed to prepare the product. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked goods, gel products, pudding, 2.0; Candy 3.0. |
| biological activity | 2-Methylhexanoic acid is a perfume ingredient. |
Last Update：2024-04-09 20:49:11
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