Isobutanoicacid
Isobutyric acid
CAS: 79-31-2
Molecular Formula: C4H8O2
Isobutanoicacid - Names and Identifiers
| Name | Isobutyric acid |
| Synonyms | Cenex RP b2 i-Butyricacid Isobutyricacid Isobutyric acid Isobutanoicacid ISO-BUTYRIC AID iso-Butyric acid Isobutanoic acid dimethylaceticacid dimethyl-aceticaci 2-methylpropanoate Dimethylacetic acid Dimethyl acetic acid Methyl propionic acid 2-Methylpropionic acid alpha-methylpropionicacid |
| CAS | 79-31-2 |
| EINECS | 201-195-7 |
| InChI | InChI=1/2C4H8O2/c2*1-3(2)4(5)6/h2*3H,1-2H3,(H,5,6) |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
Isobutanoicacid - Physico-chemical Properties
| Molecular Formula | C4H8O2 |
| Molar Mass | 88.11 |
| Density | 0.95 g/mL at 25 °C (lit.) |
| Melting Point | -47 °C (lit.) |
| Boling Point | 153-154 °C (lit.) |
| Flash Point | 132°F |
| JECFA Number | 253 |
| Water Solubility | 210 g/L (20 ºC) |
| Solubility | 618g/l |
| Vapor Presure | 1.5 mm Hg ( 20 °C) |
| Vapor Density | 3.04 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,5155 |
| BRN | 635770 |
| pKa | 4.84(at 20℃) |
| PH | 3.96(1 mM solution);3.44(10 mM solution);2.93(100 mM solution); |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.6-7.3%(V) |
| Refractive Index | n20/D 1.393(lit.) |
| Physical and Chemical Properties | Colorless oily liquid with strong pungent odor. melting point -47 ℃ boiling point 154.5 ℃ relative density 0.949 refractive index 1.3930 flash point 76.67 solubility is miscible with water, soluble in ethanol, ether, etc. |
| Use | Mainly used in the synthesis of isobutyric acid ester products, such as methyl, Propyl isobutyrate, isoamyl Ester, benzyl ester, etc., can be used as edible spices, also used in pharmaceutical |
Isobutanoicacid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S23 - Do not breathe vapour. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2529 3/PG 3 |
| WGK Germany | 1 |
| RTECS | NQ4375000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29156000 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg |
Isobutanoicacid - Upstream Downstream Industry
| Downstream Products | Isobutyryl chloride |
Isobutanoicacid - Nature
Open Data Verified Data
A colorless oily liquid with a strong pungent odor. Melting Point -47 °c. Boiling point 154.5 °c. The relative density was 0.949. Refractive index 3930. Flash point (closed cup) 76. 67 °c. Surface tension (25.2±0.3)mN/m (20 °c). Miscible with water, soluble in ethanol, ether, etc.
Last Update：2024-01-02 23:10:35
Isobutanoicacid - Preparation Method
Open Data Verified Data
- direct oxidation of isobutyraldehyde isobutyraldehyde is obtained by direct oxidation reaction with air or oxygen.
- methacrylic acid hydrogenation method
Last Update：2022-01-01 10:17:22
Isobutanoicacid - Use
Open Data Verified Data
It is mainly used for the synthesis of isobutyrate products. The main ester products are methyl isobutyrate, propyl ester, isoamyl Ester, benzyl ester, etc., can be used as the principle of food preservatives and spices, can also be used in the pharmaceutical industry. It can also be used in the manufacture of varnishes and plasticizers.
Last Update：2022-01-01 10:17:23
Isobutanoicacid - Safety
Open Data Verified Data
reference n-butyric acid.
Last Update：2022-01-01 10:33:33
Isobutanoicacid - Reference Information
| FEMA | 2222 | ISOBUTYRIC ACID |
| olfactory Threshold | 0.0015ppm |
| LogP | 1.1 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | was determined by the content analysis method in "butyric acid (03454). |
| toxicity | GRAS(FEMA). LD50 280 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 4.1; Cold drink 12; Candy 41; Baked goods 38; pectin 470; Artificial cream 30. Moderate limits (FDA § 172.515,2000). |
| uses | is mainly used for the synthesis of isobutyrate ester products, such as methyl isobutyrate, propyl ester, isoamyl Ester, benzyl ester, etc, also used in the pharmaceutical GB 2760-1996 specified as permitted for the use of flavorants. Mainly used in the preparation of cream, apple, caramel, cheese, bread, yeast and other flavors. isobutyric acid is not as important as butyric acid. The use is similar to that of N-butyric acid, and is mainly used to produce the corresponding Ester, for example, methyl isobutyrate has apricot flavor, Propyl isobutyrate has pineapple flavor, isoamyl isobutyrate has banana flavor, and octyl isobutyrate has grape flavor, benzyl isobutyrate has the jasmine flavor of the herb mold flavor, etc., and can be used as a synthetic flavor and a solvent. It is also used in the manufacture of varnishes and plasticizers. There are some important derivatives of isobutyric acid, which are industrially practically used as intermediates in the production of isobutyronitrile and then converted into isobutyramine hydrochloride, which is the starting material of the insecticide diazinon. raw materials for the production of esters for perfumes and fragrances, used as textile auxiliaries (in the form of salts) and as solvents for a variety of chemical reactions. used as a solvent for lipids, organic synthesis is also used in the preparation of flavors, fragrances and preservatives, etc. Leather deashing. Disinfectant. |
| production method | the preparation method of isobutyric acid is similar to butyric acid, mainly the direct oxidation of isobutanol and isobutyraldehyde, isobutyraldehyde is obtained by direct oxidation with air or oxygen. Other manufacturing methods include the hydrolysis of isobutyronitrile and the hydrogenation of methacrylic acid. Higher yields can also be obtained from the oxidation of 2-methyl-1-nitropropane to isobutyric acid. Isobutyric acid can be purified by azeotropic distillation with water, and anhydrous isobutyric acid is obtained by extractive distillation from carbon tetrachloride. Propylene and formate were catalyzed by hydrofluoric acid at 50 °c to form methyl isobutyrate and Propyl isobutyrate. Use: isobutyric acid is not important for butyric acid. The use is similar to that of N-butyric acid, and is mainly used to produce the corresponding Ester, for example, methyl isobutyrate has apricot flavor, Propyl isobutyrate has pineapple flavor, isoamyl isobutyrate has banana flavor, and octyl isobutyrate has grape flavor, benzyl isobutyrate has the jasmine flavor of the herb mold flavor, etc., and can be used as a synthetic flavor and a solvent. It is also used in the manufacture of varnishes and plasticizers. There are some important derivatives of isobutyric acid, which are industrially practically used as intermediates in the production of isobutyronitrile and then converted into isobutyramine hydrochloride, which is the starting material of the insecticide diazinon. obtained from the oxidation of isobutanol. |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 280 mg/kg |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light and light unloading; The warehouse is ventilated, away from open flame, high temperature, and oxidant, separate storage of alkali |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand |
| spontaneous combustion temperature | 824 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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