Name | 2-Methylpent-4-enoic acid |
Synonyms | FEMA 3511 FEMA NUMBER 3511 2-methyl-4-pentenoicaci 2-METHYLPENT-4-ENOIC ACID 2-METHYL-4-PENTENOIC ACID 2-Methyl-4-pentenoic acid 2-Methylpent-4-enoic acid (2R)-2-methylpent-4-enoate (2S)-2-methylpent-4-enoate 4-Pentenoic acid, 2-methyl- 2-methylpent-4-en-1-oic acid |
CAS | 1575-74-2 |
EINECS | 216-404-7 |
InChI | InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)/p-1/t5-/m1/s1 |
InChIKey | HVRZYSHVZOELOH-UHFFFAOYSA-N |
Molecular Formula | C6H10O2 |
Molar Mass | 114.14 |
Density | 0.949g/mLat 25°C(lit.) |
Melting Point | 17.3°C (estimate) |
Boling Point | 195°C(lit.) |
Specific Rotation(α) | n20/D 1.43 (lit.) |
Flash Point | 210°F |
JECFA Number | 355 |
Water Solubility | Slightly soluble in water |
Solubility | Slightly soluble in water |
Vapor Presure | 0.237mmHg at 25°C |
Appearance | Transparent liquid |
Color | Colorless to Red to Green |
BRN | 1720987 |
pKa | 4.67±0.10(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | n20/D 1.43(lit.) |
MDL | MFCD00015570 |
Hazard Symbols | C - Corrosive |
Risk Codes | R22 - Harmful if swallowed R34 - 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 | 3 |
TSCA | Yes |
HS Code | 29161995 |
Hazard Class | 8 |
Packing Group | III |
FEMA | 3511 | 2-METHYL-4-PENTENOIC ACID |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): cold drinks, gel products, pudding, dairy products, 2.0; Alcohol-containing beverage 1.0; Candy, gum sugar, 5.0. |
Biological activity | 2-Methyl-4-pentenoic acid is a branched-chain fatty acid. |
Production method | Using diethyl malonate and dimethyl sulfate as methylation reagents, the reaction is carried out in the presence of sodium alkoxide to produce diethyl methylmalonate. In the presence of sodium alkoxide, chloropropene is used as alkylating reagent, and then decarboxylated to produce the desired product. |