| Identification | More | [Name]
2-Methyl butyric acid | [CAS]
116-53-0 | [Synonyms]
2-METHYLBUTANOIC ACID
(+/-)-2-METHYLBUTYRIC ACID
2-METHYLBUTYRIC ACID
BUTANE-2-CARBOXYLIC ACID
CARBOXYLIC ACID C5
DL-2-METHYLBUTYRIC ACID
DL-METHYLETHYLACETIC ACID
FEMA 2695
Methylbutyric acid
METHYLBUTYRIC ACID, DL-2-
METHYLETHYL ACETIC ACID
RARECHEM AL BO 0094
2-Methybutyric acid
2-methyl-butanoicaci
2-Methylbuttersαure(±)-
2-methylbutyrate
2-methylbutyric
2-methyl-butyricaci
2-Methyl-n-butyricacid
Active valeric acid | [EINECS(EC#)]
204-145-2 | [Molecular Formula]
C5H10O2 | [MDL Number]
MFCD00002669 | [Molecular Weight]
102.13 | [MOL File]
116-53-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pale yellowish liquid | [Melting point ]
-70 °C
| [Boiling point ]
176-177 °C (lit.) | [density ]
0.936 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.5 mm Hg ( 20 °C)
| [FEMA ]
2695 | [refractive index ]
n20/D 1.405(lit.)
| [Fp ]
165 °F
| [storage temp. ]
0-6°C | [solubility ]
20g/l | [form ]
Liquid | [pka]
4.8(at 25℃) | [color ]
Clear colorless to pale yellow | [Odor]
at 10.00 % in propylene glycol. pungent acid roquefort cheese | [biological source]
synthetic | [explosive limit]
1.6-7.3%(V) | [Odor Type]
acidic | [Water Solubility ]
45 g/L (20 ºC) | [JECFA Number]
255 | [BRN ]
1720486 | [Henry's Law Constant]
6.7×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) | [InChIKey]
WLAMNBDJUVNPJU-UHFFFAOYSA-N | [SMILES]
CCC(C)C(O)=O | [LogP]
1.8 at 25℃ | [CAS DataBase Reference]
116-53-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 2-methyl-(116-53-0) | [EPA Substance Registry System]
116-53-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H290-H302+H312-H314 | [Precautionary statements ]
P234-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns. | [Safety Statements ]
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 label where possible) . | [RIDADR ]
UN 3265 8/PG 3
| [WGK Germany ]
1
| [RTECS ]
EK7897000
| [F ]
13 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29156090 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Dam. 1
Met. Corr. 1
Skin Corr. 1B |
| Questions And Answer | Back Directory | [Description]
2-methyl butyric acid has a pungent, acrid odor which is similar to Roquefort cheese with an acrid taste. At low dilutions, it has a pleasant fruity taste. It can be prepared either by decarboxylation of methyl ethyl malonic acid or by the oxidation of fermentation amyl alcohol (fusel oil). It is used as a flavor ingredient for butter, cream, cheese flavor deployment. It also provides acyl moiety for the preparation of the respective flavor esters.
| [References]
[1] George A. Burdock, Encyclopedia of Food and Color Additives, Band 1, 1996
[2] T. Tachihara, H. Hashimoto, S. Ishizaki, T. Komai, A. Fujita, M. Ishikawa and T. Kitahara, Microbial resolution of 2-methylbutyric acid and its application to several chiral flavour compounds, Developments in Food Science, 2006, vol. 43, 97-100
|
| Hazard Information | Back Directory | [Chemical Properties]
2-Methylbutyric acid has a pungent, acrid odor similar to Roquefort cheese with an acrid taste. At low dilutions, it has
a pleasant, fruity taste | [Chemical Properties]
clear colorless to pale yellowish liquid | [Occurrence]
Occurring as the d-, l-, and dl-isomers; the racemic form has been reported found in angelica root oil and coffee; the d-isomer in the ester form has been identified in lavender oil. Also reported found in apple, apricot, berries, grapes, papaya,
peach, guava, pineapple, potato, bell pepper, tomato, peppermint and spearmint oil, vinegar, wheat breads, cheeses, chicken, mutton,
pork, hop oil, beer, cognac, rum, whiskies, cider, cocoa, coffee, tea, peanuts, passion fruit, trassi, mango, plum, tamarind, rice, corn
oil, loquat, scallops, Chinese quince, maté, mammee apple and Roman chamomile oil, cranberry, grape brandy, oriental tobacco,
and strawberry | [Uses]
Used in the synthesis of 2-methylbutyric anhydride | [Definition]
ChEBI: A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. | [Preparation]
By decarboxylation of methyl ethyl malonic acid (with heat); also by oxidation of fermentation amyl alcohol (fusel oil). | [Aroma threshold values]
Detection: 10 to 60 ppb. Aroma characteristics at 1.0%: acidic sour, pungent, ripe fruit leather, lingonberry, dirty cheesy, fermented pineapple fruity with a woody nuance | [Taste threshold values]
Taste characteristics at 10 ppm: dirty, acidic sour, ripe fruity, with a dairy buttery and cheesy nuance | [General Description]
Enantioselective esterification of (+/-)-2-methylbutynic acid catalyzed by Chromobacterium viscosum lipase immobilized in microemulsion-based organogels has been investigated. | [Flammability and Explosibility]
Notclassified | [Biochem/physiol Actions]
Taste at 10 ppm |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
jiliang chemicals
|
| Telephone: |
21-62165282 |
| Website: |
http://www.jiliangchem.com |
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