甲酸正丁酯/甲酸丁酯
butyl formate
CAS: 592-84-7
Molecular Formula: C5H10O2
甲酸正丁酯/甲酸丁酯 - Names and Identifiers
| Name | butyl formate |
| Synonyms | FEMA 2196 HCOO(CH2)3CH3 butyl formate 1-butylformate n-Butyl Formate n-Butyl methanoate Natural Butyl Formate Methanoicacidbutylester Formic acid butyl ester Methanoicacid,butylester butylesterkyselinymravenci Butylester kyseliny mravenci |
| CAS | 592-84-7 |
| EINECS | 209-772-5 |
| InChI | InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3 |
甲酸正丁酯/甲酸丁酯 - Physico-chemical Properties
| Molecular Formula | C5H10O2 |
| Molar Mass | 102.13 |
| Density | 0.892 g/mL at 25 °C (lit.) |
| Melting Point | -91 °C |
| Boling Point | 106-107 °C (lit.) |
| Flash Point | 57°F |
| JECFA Number | 118 |
| Water Solubility | SLIGHTLY SOLUBLE |
| Vapor Presure | 26.6mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| BRN | 1742108 |
| Storage Condition | Flammables area |
| Explosive Limit | 1.7-8.2%(V) |
| Refractive Index | n20/D 1.389(lit.) |
| Physical and Chemical Properties |
Colourless, highly flammable liquid. Vapour is heavier than air; distant ignition possible. Vapour-air mixtures (1.7-8%) are explosive. |
| Use | For the manufacture of spices and Organic synthesis |
甲酸正丁酯/甲酸丁酯 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S24 - Avoid contact with skin. S33 - Take precautionary measures against static discharges. |
| UN IDs | UN 1128 3/PG 2 |
| WGK Germany | 1 |
| RTECS | LQ5500000 |
| TSCA | Yes |
| HS Code | 29151300 |
| Hazard Class | 3 |
| Packing Group | II |
甲酸正丁酯/甲酸丁酯 - Nature
Open Data Verified Data
colorless liquid with fruit aroma. The relative density (d20) was 0. 8854. Melting point 95.8 °c. Boiling point 98.4 °c. Flash point 180 °c. Refractive index 3857. The vapor pressure was 3.73kPa (25 ° C.), and the heat of vaporization was 363J/g. Specific heat capacity 61.2 J/(g. C). Slightly soluble in water, soluble in acetone, and ethanol, ether and other organic solvents miscible. It can well dissolve nitrocellulose, cellulose acetate and cellulose ether.
Last Update：2024-01-02 23:10:35
甲酸正丁酯/甲酸丁酯 - Preparation Method
Open Data Verified Data
formic acid and butanol are esterified in the presence of sulfuric acid as a catalyst, and then dehydrated and refined to obtain a finished product.
Last Update：2022-01-01 10:32:39
甲酸正丁酯/甲酸丁酯 - Use
Open Data Verified Data
used as a solvent in the production of paints, films, artificial leather. It is also used in perfume production and organic synthesis.
Last Update：2022-01-01 10:32:40
甲酸正丁酯/甲酸丁酯 - Safety
Open Data Verified Data
- This product has anesthetic effect and strong irritation. A small amount of inhalation that is difficult to withstand the stimulation, the stimulation of the eyes is particularly strong. Dogs exposed to the product concentration of 43.5 mg/L for 70 minutes, that is, the production of anesthesia for 90 minutes can cause anesthesia and death.
- The operating site was well ventilated. Close the equipment to prevent leakage. Operators should wear protective gear. If the goods splash into the eyes, should immediately rinse with a large amount of water, stained skin with soap, clean water wash.
- packaged in iron or plastic barrels. Should pay attention to the sealing of the lid of the package, stored in a cool, dry and ventilated place, sunscreen, fire. Take care to prevent collision during transport.
Last Update：2022-01-01 10:32:40
甲酸正丁酯/甲酸丁酯 - Reference Information
| FEMA | 2196 | BUTYL FORMATE |
| olfactory threshold (Odor Threshold) | 0.087ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | can be safely used in food (FDA, 172.515,2000). |
| usage limit | FEMA(mg/kg): soft drink 2.9; Cold drink 3.2; Jelly and pudding 5.0; Baked food 9.1; Candy 11. |
| use | GB 2760-1996 specified as allowed food spices. the product can dissolve oil, wax, rosin, nitrocellulose, cellulose acetate, cellulose ether, etc., and is used as a solvent for paints and films, as well as for artificial leather, spices and organic synthesis. Used as a standard substance and solvent for chromatographic analysis, and also used in perfume manufacturing and organic synthesis |
| production method | obtained by esterification of butanol and formic acid. Formic acid and butanol were heated and refluxed for 24h. After cooling, wash with saturated sodium chloride solution, saturated sodium bicarbonate solution, and then wash with saturated sodium chloride solution. Dry with anhydrous sodium sulfate, distilled, and collect the 106-107 ℃ fraction to obtain the finished product with 74% yield. The esterification reaction can also be carried out in the presence of sulfuric acid. It is obtained by azeotropic distillation of formic acid, n-butanol and isopropyl formate. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rabbit LD50: 2656 mg/kg |
| Explosive hazard characteristics | Explosive when mixed with air |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-09 15:16:46
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View History
甲酸正丁酯/甲酸丁酯
2-(4-甲酰基-3-羟苯基)乙酸甲酯
Phosphonic acid, (2-ethylhexyl)-, mono(2-ethylhexyl) ester
1-BUTYL NAPHTHYL KETONE
4-(5-氯-1H-吲唑-3-基)哌啶-1-甲酸叔丁酯
异丙基溴乙酸乙酯
B-PHENYLETHYLAMINE HCL
METHYL CIS-9-HEXADECENOATE
(1S)-1-(羟甲基)-2-氧杂-5-氮杂双环[2.2.1]庚烷-5-羧酸叔丁酯
原苯甲酸三甲酯(尼达尼布杂质)
2-(4-甲酰基-3-羟苯基)乙酸甲酯
Phosphonic acid, (2-ethylhexyl)-, mono(2-ethylhexyl) ester
1-BUTYL NAPHTHYL KETONE
4-(5-氯-1H-吲唑-3-基)哌啶-1-甲酸叔丁酯
异丙基溴乙酸乙酯
B-PHENYLETHYLAMINE HCL
METHYL CIS-9-HEXADECENOATE
(1S)-1-(羟甲基)-2-氧杂-5-氮杂双环[2.2.1]庚烷-5-羧酸叔丁酯
原苯甲酸三甲酯(尼达尼布杂质)