| Identification | More | [Name]
Isobutyric acid | [CAS]
79-31-2 | [Synonyms]
2-METHYL PROPANOIC ACID
2-METHYLPROPIONIC ACID
2-Methyl propiori cacid
FEMA 2222
ISOBUTYRIC ACID
ISOPROPYL FORMIC ACID
METHYLPROPIONIC ACID
RARECHEM AL BO 0091
2-methyl-propionicaci
2-Methylpropionsαure
2-propanecarboxylicacid
Acetic acid, dimethyl-
aceticacid,dimethyl-
acideisobutyrique
acidemethyl-2propanoique
alpha-Methylpropanoic acid
alpha-methylpropanoicacid
alpha-Methylpropionic acid
alpha-methylpropionicacid
Cenex RP b2 | [EINECS(EC#)]
201-195-7 | [Molecular Formula]
C4H8O2 | [MDL Number]
MFCD00002658 | [Molecular Weight]
88.11 | [MOL File]
79-31-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless liquid | [Melting point ]
-47 °C (lit.) | [Boiling point ]
153-154 °C (lit.) | [density ]
0.95 g/mL at 25 °C(lit.)
| [vapor density ]
3.04 (vs air)
| [vapor pressure ]
1.5 mm Hg ( 20 °C)
| [FEMA ]
2222 | [refractive index ]
n20/D 1.393(lit.)
| [Fp ]
132 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
618g/l | [form ]
Liquid | [pka]
4.84(at 20℃) | [color ]
Clear colorless | [Odor]
at 1.00 % in propylene glycol. acidic sour cheese dairy buttery rancid | [PH]
2.3 (500g/l, H2O, 25℃) | [biological source]
synthetic | [explosive limit]
1.6-7.3%(V) | [Odor Threshold]
0.0015ppm | [Odor Type]
acidic | [Water Solubility ]
210 g/L (20 ºC) | [Specific Heat Capacity]
Cp(liquid):173J/(g·K),at 25℃ | [JECFA Number]
253 | [Merck ]
14,5155 | [BRN ]
635770 | [Henry's Law Constant]
4.6×101 mol/(m3Pa) at 25℃, Kim and Kim (2016) | [Dielectric constant]
2.6（Ambient） | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
BUFFERING | [InChI]
1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) | [InChIKey]
KQNPFQTWMSNSAP-UHFFFAOYSA-N | [SMILES]
CC(C)C(O)=O | [LogP]
1.1 at 25℃ | [Uses]
Isobutyric Acid is a flavoring agent that is a colorless liquid with a
strong, penetrating odor, resembling butter. it is miscible in alcohol,
propylene glycol, glycerin, mineral oil, and most fixed oils and sol-
uble in water. it is obtained by chemical synthesis. it is also termed
isopropylformic acid. | [CAS DataBase Reference]
79-31-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoic acid, 2-methyl-(79-31-2) | [EPA Substance Registry System]
79-31-2(EPA Substance) | [CAS Number Unlabeled]
79-31-2 |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS05,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H226-H302-H311-H314 | [Precautionary statements ]
P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
Xn | [Risk Statements ]
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2529 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
NQ4375000
| [F ]
13 | [Autoignition Temperature]
824 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29156000 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1B | [Hazardous Substances Data]
79-31-2(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg |
| Hazard Information | Back Directory | [General Description]
A colorless liquid with a light odor of rancid butter. Flash point 132°F. Density 7.9 lb/gal. Corrosive to metals and tissue. | [Reactivity Profile]
ISOBUTYRIC ACID(79-31-2) corrodes aluminum and other metals. Flammable hydrogen gas may accumulate in enclosed spaces in which this reaction has taken place [USCG, 1999]. | [Air & Water Reactions]
Flammable. Water soluble | [Hazard]
Toxic by ingestion, strong irritant to tissue. | [Health Hazard]
Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation. | [Fire Hazard]
Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [Description]
Isobutyric acid has an odor and flavor similar to n-butyric acid.
Prepared via oxidation of isobutyl alcohol. | [Chemical Properties]
Isobutyric acid is a clear colorless oily liquid with an odor and flavor similar to n-butyric acid. Miscible with water, soluble in ethanol and ether. Prepared via oxidation of isobutyl alcohol. | [Physical properties]
Isobutyric Acid is a flavoring agent that is a colorless liquid with a strong, penetrating odor, resembling butter. it is miscible in alcohol, propylene glycol, glycerin, mineral oil, and most fixed oils and soluble in water. it is obtained by chemical synthesis. it is also termed isopropylformic acid. | [Occurrence]
Reported found in several essential oils: Arnica montana, Roman chamomile, Laurus nobilis, imperatoria, and
in carob fruits (Siliqua dulcis); also identified in the essence of Seseli tortuosum, Artemisia transiliensis. Reported found in apple,
banana, lingonberry, cranberry, currants, guava, papaya, grapes, pineapple, raspberry, strawberry, celery, potato, bell pepper, tomato,
peppermint oil, breads, cheeses, butter, fish, cooked beef and pork, hop oil, beer, rum, cognac, whiskies, cider, honey, grape wines,
cocoa, coffee, tea, peanuts, passion fruit, plums, mushrooms, mango, rice, shoyu, sake, buckwheat, laurel, dried bonito, Bourbon
vanilla, shrimps, scallops and Chinese quince | [Application]
Isobutyric acid is mainly used in the synthesis of isobutyric acid esters, such as methyl isobutyrate, propyl ester, isoamyl ester and benzyl ester. It can also be used manufacture of esters for solvents, flavors and perfume bases, disinfecting agent, varnish, plasticizers, deliming hides, tanning agent and used in pharmaceutical. Isobutyric acid has some important derivatives that, in the industry, is actually used for the production of isobutyronitrile intermediates, and then converted to isobutylamidine hydrochloride that is the raw materials of pesticide diazinon. | [Definition]
ChEBI: A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. | [Preparation]
By oxidation of isobutyl alcohol. | [Aroma threshold values]
Detection: 10 ppb to 9.5 ppm; aroma characteristics at 10 ppm: acidic pungent, dairy buttery and cheesy
with fruity undertones. | [Taste threshold values]
Taste characteristics at 15 ppm: acidic, sour dairy, creamy, cheese, cultured dairy nuance. | [Biochem/physiol Actions]
Odor at 10 ppm | [Synthesis]
The preparation of isobutyric acid is similar with butyric acid, which is performed by the direct oxidation of isobutyl alcohol and isobutyraldehyde. Isobutyric acid can be directly generated from the oxidation of isobutyraldehyde in air or oxygen. Other manufacturing methods have isobutyronitrile hydrolysis and methacrylic acid hydrogenation. The oxidation of 2-methyl-1-nitropropane to prepare isobutyric acid can also obtain a higher yield. The purification of Isobutyric acid can be realized by azeotropic distillation with water, and anhydrous isobutyric acid can be obtained by the extractive distillation from carbon tetrachloride. Propylene and formic acid ester can react at 50 °C with the catalysis of hydrofluoric acid to generate methyl isobutyrate and propyl isobutyrate. | [Purification Methods]
Distil the acid from KMnO4, then redistil it from P2O5. [Beilstein 2 H 288, 2 I 126, 2 II 257, 2 III 637, 2 IV 843.] | [Toxics Screening Level]
An Initial Threshold Screening Level (ITSL) of 0.9 μg/m3) based on an annual averaging time is being established at this time for isobutyric acid. | [Pesticide Type]
Fungicide |
|
| Company Name: |
Alfa Aesar
|
| 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 |
|