Name | 2-Methylbutyric Acid |
Synonyms | FEMA 2695 RARECHEM AL BO 0094 2-Methylbutyric Acid 2-METHYLBUTYRIC ACID 2-Methyl Butyic Acid 2-METHYLBUTANOIC ACID 2-Methyl Butyric Acid 2-Methylbutanoic Acid (2S)-2-methylbutanoate (2R)-2-methylbutanoate D-2-Methyl Butyric Acid METHYLETHYL ACETIC ACID BUTANE-2-CARBOXYLIC ACID METHYLBUTYRIC ACID, DL-2- (2S)-2-methylbutanoic acid Natural 2-Methyl Butyric Acid |
CAS | 116-53-0 |
EINECS | 204-145-2 |
InChI | InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1/t4-/m0/s1 |
Molecular Formula | C5H10O2 |
Molar Mass | 102.13 |
Density | 0.936 g/mL at 25 °C (lit.) |
Melting Point | -70 °C |
Boling Point | 176-177 °C (lit.) |
Flash Point | 165°F |
JECFA Number | 255 |
Water Solubility | 45 g/L (20 ºC) |
Solubility | 20g/l |
Vapor Presure | 0.5 mm Hg ( 20 °C) |
Appearance | Liquid |
Color | Clear colorless to pale yellow |
BRN | 1720486 |
pKa | 4.8(at 25℃) |
Storage Condition | Sealed in dry,Room Temperature |
Explosive Limit | 1.6-7.3%(V) |
Refractive Index | n20/D 1.405(lit.) |
Physical and Chemical Properties | There are three isomers of d-, l-and dl-, colorless to light yellow liquid, a pungent spicy goat cheese odor, low concentration of pleasant fruit aroma, taste of octonic. The boiling point is 176 ℃(dl-),l-type 176~177 ℃,dl-Type 173~174 ℃. Relative density d and l type (d420)0.934,dl type (d420)0.9332. Refractive index Type d (nD21.2)1.4044. Optical rotation d type [α]D 16 ° ~ 21 °,l type [α]D-6 ° ~-18 °, flash point 83 ℃. Slightly soluble in water and glycerol, soluble in ethanol and propylene glycol. The natural product (Type d) is present in the form of an ester in lavender oil, and type dl is present in coffee and angelica root, etc. |
Use | For the preparation of food, tobacco and daily flavor |
Hazard Symbols | C - Corrosive |
Risk Codes | R21/22 - Harmful in contact with skin and 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 3 |
WGK Germany | 1 |
RTECS | EK7897000 |
FLUKA BRAND F CODES | 13 |
TSCA | Yes |
HS Code | 29156090 |
Hazard Class | 8 |
Packing Group | III |
FEMA | 2695 | 2-METHYLBUTYRIC ACID |
LogP | 1.8 at 25℃ |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
content analysis | accurately weigh 1.0g of the sample, move it into a 250ml triangular flask containing 75-100ml of water, add phenolphthalein test solution, titrate with 0.5mol/L sodium hydroxide solution until pink starts to appear and keep it for 15s. Each mL0.5mol/L sodium hydroxide solution is equivalent to 51.06mg of this product. |
toxicity | can be safely used in food (FDA, 172.515,1994). |
use limit | FEMA(mg/kg): soft drink 0.5; Cold drink 1.0; Candy 5.0. |
use | GB 2760-1996 specified as allowed food spices. Used to prepare cheese, cream, chocolate and other flavors. Used for blending edible, tobacco and daily chemical flavors Production of intermediates for lubricants, plasticizers, perfumes and flavor esters. |
production method | obtained by oxidation of fusel oil. It is obtained by heating and decarboxylation of methyl ethyl malonic acid. |