3-Methylpropionic acid
n-Butyric acid
CAS: 107-92-6
Molecular Formula: C4H8O2
3-Methylpropionic acid - Names and Identifiers
| Name | n-Butyric acid |
| Synonyms | butanoate Butyric Acid n-Butyric acid normal Butyric acid n-Butyric Acid, FCC Natural Butyric Acid 3-Methylpropionic acid Tetranoic acid (Butyric) n-Butyric acid, synthesis grade |
| CAS | 107-92-6 |
| EINECS | 203-532-3 |
| InChI | InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 |
| InChIKey | FERIUCNNQQJTOY-UHFFFAOYSA-N |
3-Methylpropionic acid - Physico-chemical Properties
| Molecular Formula | C4H8O2 |
| Molar Mass | 88.11 |
| Density | 0.964 g/mL at 25 °C (lit.) |
| Melting Point | -6--3 °C (lit.) |
| Boling Point | 162 °C (lit.) |
| Flash Point | 170°F |
| JECFA Number | 87 |
| Water Solubility | MISCIBLE |
| Vapor Presure | 0.43 mm Hg ( 20 °C) |
| Vapor Density | 3.04 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.960 (20/4℃) |
| Color | Clear colorless |
| Merck | 14,1593 |
| BRN | 906770 |
| pKa | 4.83(at 25℃) |
| PH | 3.94(1 mM solution);3.42(10 mM solution);2.92(100 mM solution); |
| Storage Condition | Store below +30°C. |
| Stability | Stability Flammable. Incompatible with strong oxidizing agents, aluminium and most other common metals, alkalies, reducing agents. |
| Explosive Limit | 2-12.3%(V) |
| Refractive Index | n20/D 1.398(lit.) |
| Physical and Chemical Properties | Colorless oily liquid with irritating and unpleasant odor. viscosity mPa · s(20 °c):1.61(15 °c). |
| Use | For the preparation of spices, pharmaceuticals and other organic chemicals, but also for the deashing of leather, but also as a synthetic raw material for the preparation of other organic chemicals. |
3-Methylpropionic acid - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2820 8/PG 3 |
| WGK Germany | 1 |
| RTECS | ES5425000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 2915 60 19 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 8.79 g/kg (Smyth) |
3-Methylpropionic acid - Upstream Downstream Industry
| Raw Materials | Butyraldehyde Oxygen |
| Downstream Products | Acetic acid n-Butyric anhydride Butyryl chloride Cellulose acetate butyrate Reactive Red Brown K-B3r |
3-Methylpropionic acid - Nature
Open Data Verified Data
butyric acid colorless transparent liquid with unpleasant rancidity cream odor. Lo in water, ethanol, ether and other organic solvents.
Last Update：2024-01-02 23:10:35
3-Methylpropionic acid - Preparation Method
Open Data Verified Data
butyric acid is naturally present in cream, citronella, nutmeg, etc., industrial use of air or oxygen oxidation of butyl aldehyde; Or starch or sugar as raw material, with butyric acid bacteria fermentation products, N-Pentanol can also be used as a raw material to oxidize with concentrated nitric acid to N-butyric acid.
Last Update：2022-01-01 10:07:16
3-Methylpropionic acid - Use
Open Data Verified Data
butyric acid is a kind of edible flavor allowed in our country, which is commonly used in the flavoring of butter, cheese and fruit essences. Dosage according to normal production needs, generally in the candy 82mg/kg; Chewing gum 60~270mg/kg; Baked food 32mg/kg; Margarine 18mg/kg; Cold drink 6. 5 mg/kg.
Last Update：2022-01-01 10:07:16
3-Methylpropionic acid - Reference Information
| FEMA | 2221 | BUTYRIC ACID |
| olfactory Threshold | 0.00019ppm |
| 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) |
| Use | to determine the critical temperature and surface tension of fat dissolution, used to eliminate the effect of iron, also used as extractant, decalcification agent used in the preparation of spices, pharmaceuticals and other organic chemicals, also used for deashing of leather butyric acid is China's regulations allow the use of edible spices, commonly used in butter, cheese and fruit flavor flavor. Dosage according to the normal production needs, generally in the candy dosage of 82mg/kg; Chewing gum in 60~270mg/kg; Baked food in 32mg/kg; Artificial cream in 18rag/kg; 6.5 mg/kg in cold drinks. The main use of butyric acid is the manufacture of cellulose butyrate, used in the manufacture of thermoformed signs, glasses, car driver's wheel, black telephone parts, etc., in anti-aging, water resistance, shrinkage and other aspects are stronger than cellulose acetate, butyric acid is also widely used in the manufacture of varnish and molding powder. Butyric acid for the manufacture of cellulose acetate, can be mixed with a variety of resin, more for paint, spinning and cotton blend. Butyric acid for the synthesis of various types of butyrate, cellulose flame retardants and other organic synthesis, the main derivatives are butyric acid formic acid, ethyl butyrate, α-bromobutyric acid, butanamide, butyrylaniline, butyryl chloride, butyric acid triglyceride, butyrylaminophenylether, butyrylaminoanisidine, etc. For spices, food additives, pharmaceuticals, flame retardants, fungicides. Butyrate has a pleasant fruit aroma, such as methyl butyrate has an apple aroma, ethyl butyrate has a pineapple aroma, isoamyl butyrate has a snow pear aroma, and isopropyl Butyrate also has a pineapple aroma. Daily flavor of linalyl butyrate and teratine butyrate are also butyric acid derivatives. Although butyric acid is a malodorous substance, its use is limited, but it is also an indispensable substance for flavoring raw materials. It can not only be used as the raw material of butter and cheese spices, but also can make many fruit essences more flavored and thickened. When used as a fragrance, the use of very small amounts of butyric acid can be very strong, very strong smell. as a feed preservative, electrolyte balance agent. It is also a kind of edible spice that is allowed to be used in China, Commonly used in butter, cheese and fruit flavor flavor. important fine chemical raw materials for the synthesis of cellulose butyrate and its esters are widely used in perfume, instrument additives, medicine and other fields. The critical temperature for the determination of lipolysis. Determination of surface tension. Electrolytic method for the determination of copper, to eliminate the influence of iron. |
| production method | butyric acid occurs naturally with citronella, nutmeg, cream, etc, industrial production methods include fermentation and butanol (or butyraldehyde) oxidation. (1) fermentation method. With starch or sugar as raw material, butyric acid was fermented by butyric acid bacteria. (2) butyraldehyde oxidation. Using manganese acetate or cobalt acetate as catalyst, air or oxygen is used to oxidize butyraldehyde. After the reaction is finished, butyric acid is obtained by fractionation. (3) concentrated nitric acid oxidation (Laboratory preparation). N-pentanol was oxidized to N-butyric acid with concentrated nitric acid. N-pentanol was slowly added dropwise to boiling nitric acid, and the micro-boiling was maintained for 15-30min after the addition. After cooling, the mixture was extracted with carbon tetrachloride (50ml x 3) and the extract was extracted with 10% aqueous NaOH (20ml x 3). The aqueous layers were combined, and 5g of zinc powder was added to reflux for 20min. After cooling, the unreacted zinc powder was filtered off, and the reaction solution was acidified by adding 13ml of concentrated hydrochloric acid, and then extracted with carbon tetrachloride (30ml × 3). The extract was dried with anhydrous sodium sulfate, and carbon tetrachloride was distilled off to collect 11g of 174-184 ° C. (85.33kPa) fraction. The yield was 50.4%. 1. N-butyraldehyde oxidation N-butyraldehyde is oxidized with air or oxygen in the presence of manganese butyrate catalyst to obtain N-butyric acid. N-butyraldehyde may be derived from the oxidative dehydrogenation of n-butanol or the carbonylation of propylene. The carbonylation of propylene was synthesized from propylene by using Ni(CO)4 as catalyst. 3. N-pentanol nitric acid oxidation by N-pentanol in boiling concentrated nitric acid in the first elimination reaction, lose one molecule of water and the formation of olefins, olefins and then further nitric acid oxidation and loss of a carbon atom, the formation of N-butyric acid. Butyric acid and lactic acid can be obtained from starch and molasses by butyric acid bacteria fermentation. butyric acid is naturally present in citronella, nutmeg, cream, etc. Industrial production methods include fermentation and butanol (or butyraldehyde) oxidation. Butyric acid was obtained from starch or sugar by fermentation with butyric acid bacteria. Butyraldehyde oxidation with manganese acetate or cobalt acetate as catalyst, using air or oxygen oxidation of butyraldehyde, after the end of the reaction, by fractional distillation of butyric acid. CH3CH2CH2CHO + O2 [MnAc2] → CH3CH2CH2COOH concentrated nitric acid oxidation (Laboratory preparation) with n-pentanol as raw material, it is oxidized to N-butyric acid with concentrated nitric acid. The N-pentanol was slowly added dropwise to the boiling nitric acid, and the micro boiling was maintained for 15~30min after the addition. After cooling, the mixture was extracted with carbon tetrachloride (50ml x 3) and the extract was extracted with 10% aqueous NaOH (20ml x 3). The aqueous layers were combined, and 5g of zinc powder was added to reflux for 20min. After cooling, the unreacted zinc powder was filtered off, and the reaction solution was acidified by adding 13ml of concentrated hydrochloric acid, and then extracted with carbon tetrachloride (30ml x 3). The extract was dried with anhydrous sodium sulfate, carbon tetrachloride was distilled off, and 11g of 174-184 ℃(85.33kPa) fraction was collected. The yield was 50.4%. |
| category | corrosive article |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2000 mg/kg; Oral-mouse LDL0: 500 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h severe; eye-rabbit 0.25 mg severe |
| explosive hazard characteristics | explosive when mixed with air; Strong reaction with oxidant; reaction with chromium trioxide above 100°C |
| 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 |
| Occupational Standard | SEL 10 mg/m3 |
| spontaneous combustion temperature | 824 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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Raw Materials for 3-Methylpropionic acid
Downstream Products for 3-Methylpropionic acid