Butanecarboxylic Acid
N-Valeric Acid
CAS: 109-52-4
Molecular Formula: C5H10O2
Butanecarboxylic Acid - Names and Identifiers
| Name | N-Valeric Acid |
| Synonyms | N-Pentanoic PENTANE ACID VALERIC ACID VALERIC ACOD Valeric acid N-Valeric Acid PENTANOIC ACID N-VALERIC ACID pentanoic acid valerianic acid N-PENTANOIC ACID n-Pentanoic Acid propylacetic acid PROPYLACETIC ACID RARECHEM AL BO 0179 Butanecarboxylic Acid PENTANOIC-2,2-D2 ACID 1-butanecarboxylic acid 3-(methylsulfanyl)propanoic acid |
| CAS | 109-52-4 |
| EINECS | 203-677-2 |
| InChI | InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
Butanecarboxylic Acid - Physico-chemical Properties
| Molecular Formula | C5H10O2 |
| Molar Mass | 102.13 |
| Density | 0.939g/mLat 25°C(lit.) |
| Melting Point | −20-−18°C(lit.) |
| Boling Point | 110-111°C10mm Hg(lit.) |
| Flash Point | 192°F |
| JECFA Number | 90 |
| Water Solubility | 40 g/L (20 ºC) |
| Solubility | 40g/l |
| Vapor Presure | 0.15 mm Hg ( 20 °C) |
| Vapor Density | 3.5 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| Merck | 14,9904 |
| BRN | 969454 |
| pKa | 4.84(at 25℃) |
| PH | 3.95(1 mM solution);3.43(10 mM solution);2.92(100 mM solution); |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.8-7.3%(V) |
| Refractive Index | n20/D 1.408(lit.) |
| Physical and Chemical Properties | colorless liquid with unpleasant odor |
| Use | Mainly used for the preparation of N-valerate, organic synthesis of basic raw materials, widely used in spices, pharmaceuticals, lubricants, plasticizers and other industries. |
Butanecarboxylic Acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| 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.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | YV6100000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29156090 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 i.v. in mice: 1290 ±53 mg/kg (Or, Wretlind) |
Butanecarboxylic Acid - Upstream Downstream Industry
| Downstream Products | 1-Pentanol Valeronitrile Valeryl chloride Ethyl n-Valerate |
Butanecarboxylic Acid - Nature
Open Data Verified Data
colorless transparent liquid, melting point -33. 83 °c. Boiling point 186. 05 °c (look kPa). The relative density was 0.9391. Refractive index 4085. Soluble in water, ethanol and ether.
Last Update：2024-01-02 23:10:35
Butanecarboxylic Acid - Preparation Method
Open Data Verified Data
- n-amyl alcohol was obtained by electrolytic oxidation.
- formic acid can also be reacted with 1 butene to form N-pentanoic acid.
Last Update：2022-01-01 10:30:57
Butanecarboxylic Acid - Use
Open Data Verified Data
mainly used for the production of valerate, as raw materials of spices. It is used as a raw material of disinfectant in medicine.
Last Update：2022-01-01 10:30:57
Butanecarboxylic Acid - Safety
Open Data Verified Data
This product has low toxicity. The LD50 of mice injected intravenously was (90±53) mg/kg. Protection Measure see n-butyric acid.
Packaged in stainless steel barrels or plastic barrels, net weight lookg or 200kg. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:30:57
Butanecarboxylic Acid - Reference Information
| Plant Source: | Valerian |
| FEMA | 3101 | VALERIC ACID |
| olfactory Threshold | 0.000037ppm |
| LogP | 1.8 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) |
| Introduction | pentanoic acid is a short-chain saturated fatty acid, also known as pentanoic acid, valeric acid, etc. Pentanoic acid is a colorless transparent liquid at room temperature, the relative density of 0.9391, soluble in water, ethanol and ether and other solutions, flammable, with an unpleasant odor socks, exists in the perennial flowering plant valerian. |
| Application | pentanoic acid is an important chemical raw material, mainly used in the synthesis of valerate, with a pleasant aroma, it can be used in perfumes and cosmetics, and ethyl valerate and amyl valerate have fruit aroma and are used as food additives. Valerate is widely used in perfume, medicine, lubricant, plasticizer and other industries. It is a widely used chemical raw material. |
| synthesis method | after adding a part of 1-chlorobutane to the mixture of metallic magnesium and solvent, the remaining 1-chlorobutane is added dropwise within 3-10min, and the reaction system is maintained in reflux state. After the addition of 1-chlorobutane is completed, the reaction system is refluxed until the reaction is completed, the resulting reaction mixture was added dropwise to a reaction vessel containing dry ice within 10-30min, and naturally warmed to room temperature. Then, MgHSO4 was added, stirred, and the reaction was completed, followed by Suction filtration. The reaction raw materials have a wide range of sources and low cost, and are suitable for industrial production. The reaction route is as follows: |
| content analysis | accurately weigh 1500mg of sample, dissolve in 0.1 mL of 50% isopropanol pre-neutralized with mol/L sodium hydroxide [phenolphthalein test solution (TS-167) as indicator. Titrate with 0.5mol/L sodium hydroxide to the pink endpoint. Each ml of 0.5mol/L sodium hydroxide equivalent to valeric acid (C5H10O2)51.07mg. |
| toxicity | GRAS(FEMA). LD50 600mg/kg (mouse, oral). |
| usage limit | FEMA(mg/kg): Soft drink 1.2; Cold drink 1.8; Candy 2.5; Baked goods 8.0. Moderate limits (FDA § 172.515,2000). |
| Application | is mainly used for the preparation of N-valeric acid ester perfume. Mainly used in the preparation of cream, cheese, cream hard candy, strawberry and rum and other flavors. mainly used in the production of valerate, as raw materials of spices. Estrogen estradiol valerate and disinfectant raw materials. polyol esters of synthetic lubricants for the production of refrigerants (CFC substitutes), motors and jet engines, esterified with lower alcohols as solvents and as perfumes and perfumes, it can also be used in the production of crop protection products. organic synthesis of basic raw materials, widely used in spices, pharmaceuticals, lubricants, plasticizers and other industries. |
| production method | n-pentanol is obtained by electrolytic oxidation. It is also possible to react formic acid with 1-butene to form N-pentanoic acid. obtained from the oxidation of N-pentanol. By butyl bromide and sodium cyanide reaction of nitrile, and then saponified. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-mouse LD50: 600 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, 1211 |
| spontaneous combustion temperature | 707 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:45
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Downstream Products for Butanecarboxylic Acid