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2-METHYLBUTYRIC ACID

2-Methylbutyric Acid

CAS: 116-53-0

Molecular Formula: C5H10O2

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2-METHYLBUTYRIC ACID - Names and Identifiers

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

2-METHYLBUTYRIC ACID - Physico-chemical Properties

Molecular FormulaC5H10O2
Molar Mass102.13
Density0.936 g/mL at 25 °C (lit.)
Melting Point-70 °C
Boling Point176-177 °C (lit.)
Flash Point165°F
JECFA Number255
Water Solubility45 g/L (20 ºC)
Solubility 20g/l
Vapor Presure0.5 mm Hg ( 20 °C)
AppearanceLiquid
ColorClear colorless to pale yellow
BRN1720486
pKa4.8(at 25℃)
Storage ConditionSealed in dry,Room Temperature
Explosive Limit1.6-7.3%(V)
Refractive Indexn20/D 1.405(lit.)
Physical and Chemical PropertiesThere 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.
UseFor the preparation of food, tobacco and daily flavor

2-METHYLBUTYRIC ACID - Risk and Safety

Hazard SymbolsC - Corrosive
Corrosive
Risk CodesR21/22 - Harmful in contact with skin and if swallowed.
R34 - Causes burns
Safety DescriptionS26 - 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 IDsUN 3265 8/PG 3
WGK Germany1
RTECSEK7897000
FLUKA BRAND F CODES13
TSCAYes
HS Code29156090
Hazard Class8
Packing GroupIII

2-METHYLBUTYRIC ACID - Reference Information

FEMA2695 | 2-METHYLBUTYRIC ACID
LogP1.8 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.
Last Update：2024-04-09 15:16:47
2-METHYLBUTYRIC ACID
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View History
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