Name | 2-methylbutyl 2-methylbutyrate |
Synonyms | FEMA 3359 2-methylbutyl 2-methylbutyrate METHYL-2-BUTYL-2-METHYLBUTYRATE Methylbutyricacidmethylbutylester 2-methyl-butanoicaci2-methylbutylester Butanoicacid,2-methyl-,2-methylbutylester DL-2-METHYLBUTYRIC ACID 2-METHYLBUTYL ESTER Butyric acid, 2-methyl-, 2-methylbutyl ester Butanoic acid, 2-methyl-, 2-methylbutyl ester |
CAS | 2445-78-5 |
EINECS | 219-497-2 |
InChI | InChI=1/C10H20O2/c1-5-7-8(3)10(4,6-2)9(11)12/h8H,5-7H2,1-4H3,(H,11,12)/p-1 |
Molecular Formula | C10H20O2 |
Molar Mass | 172.26 |
Density | 0.855g/mLat 25°C(lit.) |
Boling Point | 70-72°C11mm Hg(lit.) |
Specific Rotation(α) | n20/D 1.411-1.417 (lit.) |
Flash Point | 153°F |
JECFA Number | 212 |
Vapor Presure | 0.00329mmHg at 25°C |
Appearance | Transparent liquid |
Color | Colorless to Light yellow |
Storage Condition | 2-8℃ |
Refractive Index | n20/D 1.411-1.417(li |
MDL | MFCD00059395 |
Physical and Chemical Properties | Colorless liquid, sweet fruit and Ester, wax aroma. The melting point was 184-187 °c. Natural products are found in hop oil, bilberry, and cocoa beans, among others. |
Hazard Symbols | N - Dangerous for the environment |
Risk Codes | 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
UN IDs | UN 3082 9/PG 3 |
WGK Germany | 3 |
HS Code | 29156000 |
FEMA | 3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Fragrance and flavor application | 2-methylbutyric acid-2-methylbutyl ester is also called dl-2-methylbutyric acid, α,β-methyl butyl ester, the English name is 2-methylbutyl-2-methyl butyrate, the natural product has sweet fruit aroma, ester aroma, green aroma and wax aroma. The taste is characterized by sweet, fruit, jackfruit, green fragrance, wax fragrance and wood fragrance. Used for the formulation of edible flavors such as jackfruit, peaches, ice cream with candied fruit, apples, grapes, bananas, melons and berry flavors and daily chemical flavors. |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): soft drinks, cold drinks, candied fruits, jelly, pudding, 5.0; Candy, baked goods, 8.0. |
use | GB 2760-1996 specifies food spices that are allowed to be used. |
Production method | It is formed by direct esterification of 2-methylbutyric acid and 2-methylbutanol. It is formed by condensation of isobutyraldehyde at 120 ℃. |