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Send Email1-Butanol Butyl Alcohol, N-BUTYL ALCOHOL, Butanol, Butyric alcohol, 71-36-3, 35296-72-1
CAS: 71-36-3;35296-72-1
Molecular Formula: C4H10O
Physico-chemical Properties
| Molecular Formula | C4H10O |
| Molar Mass | 74.12 |
| Density | 0.81 g/mL at 25 °C (lit.) |
| Melting Point | -90 °C (lit.) |
| Boling Point | 116-118 °C (lit.) |
| Flash Point | 95°F |
| JECFA Number | 85 |
| Water Solubility | 80 g/L (20 ºC) |
| Solubility | Soluble in DMSO |
| Vapor Presure | 6.7 hPa (20 °C) |
| Vapor Density | 2.55 (vs air) |
| Appearance | White powder |
| Color | APHA: ≤10 |
| Odor | Alcohol-like; pungent; strong; characteristic; mildly alcoholic, non residual. |
| Exposure Limit | TLV-TWA 300 mg/m3 (100 ppm) (NIOSH),150 mg/m3 (50 ppm) (ACGIH); IDLH 8000ppm (NIOSH). |
| Maximum wavelength(λmax) | λ: 215 nm Amax: 1.00λ: 220 nm Amax: 0.50λ: 240 nm Amax: 0.10λ: 260 nm Amax: 0.04λ: 280-400 nm Amax: |
| Merck | 14,1540 |
| BRN | 969148 |
| pKa | 15.24±0.10(Predicted) |
| PH | 7 (70g/l, H2O, 20℃) |
| Storage Condition | Store at +5°C to +30°C. |
| Stability | Stable. Incompatible with strong acids, strong oxidizing agents, aluminium, acid chlorides, acid anhydrides, copper, copper alloys. Flammable. |
| Sensitive | Moisture Sensitive |
| Explosive Limit | 1.4-11.3%(V) |
| Refractive Index | n20/D 1.399(lit.) |
| MDL | MFCD00002902 |
| Physical and Chemical Properties | Characteristics of colorless liquid, with the taste of alcohol. melting point -90.2 ℃ boiling point 117.7 ℃ relative density 0.8109 refractive index 1.3993 flash point 35~35.5 ℃ solubility at 20 ℃ solubility in water 7.7% by weight, the solubility of water in n-butanol was 20.1% by weight. Miscible with ethanol, ether and other organic solvents. |
| Use | Used in the production of butyl acetate, dibutyl phthalate and phosphoric acid plasticizer, also used in the production of melamine resin, acrylic acid, epoxy varnish, etc |
Risk and Safety
| Risk Codes | R10 - Flammable R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R67 - Vapors may cause drowsiness and dizziness R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S13 - Keep away from food, drink and animal foodstuffs. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S46 - If swallowed, seek medical advice immediately and show this container or label. S7/9 - S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 1120 3/PG 3 |
| WGK Germany | 1 |
| RTECS | EO1400000 |
| TSCA | Yes |
| HS Code | 2905 13 00 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 4.36 g/kg (Smyth) |
Reference Information
| physical and chemical properties | n-butanol, also known as 1-butanol, butanol, is a kind of alcohol, each molecule has four carbon atoms, its molecular formula is ch3ch2ch2oh. There are three isomers, namely isobutanol, SEC-butanol and tert-butanol. It is a colorless liquid with wine odor at room temperature, boiling point 117.7 ℃, density (20 ℃)0.8109g/cm3, freezing point -89.0 ℃, Flash Point 36~38 ℃, spontaneous ignition point 689F. Refractive index (n20D)1.3993. 20 ° C in water solubility of 7.7% (weight), water in n-butanol solubility of 20.1% (weight), and ethanol, ether and other organic solvents miscible. Vapor and air form an explosive mixture, the explosion limit of 3.7% ~ 10.2% (volume fraction). N-Butanol is a raw material for the production of Dibutyl Phthalate Plasticizer, also used in the manufacture of butyl acrylate, butyl acetate, ethylene glycol Butyl Ether solvent. |
| Use History | the earliest by the French C.-A. N-butanol was found in Fuz in 1852 in a fusel oil obtained from the fermentation process for the production of alcohol. In 1913, the British strandch-Graham company to corn as raw material through the fermentation process to produce acetone, n-Butanol is the main by-product. Later, due to the increase in demand for n-butanol, fermentation production plants to produce n-butanol, acetone, ethanol as by-products. During the Second World War, the German Luer chemical company produced n-butanol by propylene carbonyl synthesis. The rise of petrochemical industry in the 50 s, the rapid development of synthesis of n-butanol, especially in the propylene carbonyl synthesis method is the fastest. |
| prepare water-saturated n-butanol solution | add 21 ml of water and 150 ml of n-butanol to a 100 ml separatory funnel, after shaking for 3 min, the layer was separated by standing, the lower layer was removed, and the upper layer was water-saturated n-butanol solution. (Density of water: 1 g/mL density of n-butanol: 0.808~0.811g/ml). |
| content analysis | the content of n-butanol and volatile impurities was determined by general gas chromatography (GT-10) under the following conditions: column steel column, length 1.8m, inner diameter 6.4, the filler is 10% polyethylene glycol 400M(PEG 400M), the carrier is 60/80 mesh diatomite carrier. Carrier gas helium, flow rate 45ml/min. Detector flame electrical release type. The temperature of the sample is 150 degrees C, and the column temperature is 90 0 degrees C and the detector is 150 degrees C. |
| reference quality standard | Quality Index (GB/T 6027-1998) Test Method for first-grade qualified product of high-grade item transparent liquid, no visible impurities visual chromaticity (Platinum-cobalt) No. 5 10 15 GB3143 density (20 ℃) g/cm 3 0.809-0.811 0.809-0.811 0.808-0.812 GB4472 n-butanol content% ≥ 99.50 99 98GB/T6027 acidity (calculated by acetic acid)% ≤ 0.003 0.005 0.01GB/T6027 sulfuric acid color test (Platinum-cobalt) no. ≤ 20 40 -- GB/T6027 moisture% ≤ 0.10 0.10 0.2 GB6283 evaporation residue% ≤ 0.003 0.005 0.01 GB6324.2 |
| toxicity | ADI value was not specified (FAO/WHO,1994). GRAS(FEMA). LD50790 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): used as spice: Soft drink 12; Cold drink 7.0; Candy 34; baked goods 32; Wine 1.0; Cream 4.0. No residue (when used as a solvent) is permitted by FDA § 173.1 and, in addition, no residue (172.515) is permitted for use as a fragrance as prescribed by § 2000. |
| maximum allowable use amount of food additives maximum allowable residue standard | The Chinese name of the additive the Chinese name of the additive is allowed to use the food Chinese name of the additive function maximum allowable use amount (g/kg) maximum allowable residue (g/kg) N-butanol food flavoring ingredients used in the preparation of flavors shall not exceed the maximum allowable amount and the maximum allowable residue in GB 2760 1-butanol processing aids for food industry/processing aids for food industry should generally be made before the final product out, residues in food are excluded |
| Chemical properties | colorless liquid with alcohol flavor. The solubility in water at 20 ° C. Was 7.7% by weight, and the solubility in n-butanol was 20.1% by weight. Miscible with ethanol, ether and other organic solvents. |
| purpose | used as a chromatographic reagent, also used in organic synthesis, such as butanol is China's "health standards for the use of food additives" allow the use of food spices, mainly used in the preparation of bananas, cream, cheese and other food flavors. The usage amount was 34mg/kg in candy, 32mg/kg in baked food, 12mg/kg in soft drink, 7.0mg/kg in cold drink and 4.0mg/kg in cream; alcohol 1.0mg/kg. butanol is an intermediate of the herbicides 2,4-drop butyl ester, butachlor, pyriflometrin (stable), and naveline. GB 2760-96 provides for the permitted use of flavorants. Mainly used in the preparation of banana, cream, and cheese flavor. Also used as solvent for extraction, pigment diluent. n-Butanol is mainly used in the manufacture of n-butyl plasticizers of phthalic acid, dibutyl phthalate, aliphatic dibasic acid and phosphoric acid, which are widely used in various plastics and rubber products. It is also a raw material for preparing butyraldehyde, butyric acid, butyl acetate, butylamine and butyl lactate in organic synthesis. Or the production of melamine resin, acrylic acid, oil, drugs (such as antibiotics, hormones and vitamins) and spices extractants, alkyd resin coating additives. It can also be used as a solvent for organic dyes and printing inks, dewaxing agent. |
| production method | There are three main industrial processes for n-butanol: fermentation, propylene carbonyl synthesis and acetaldehyde condensation. 1. Fermentation method the raw materials such as grain, cereal, dried yam or molasses were crushed and added water to make fermentation broth, which was sterilized by high pressure steam and then cooled. The fermentation was carried out at 36-37 ℃ with pure acetone-butanol bacteria. During fermentation, the generated gas contains carbon dioxide and hydrogen. The fermentation broth contains ethanol, butanol, acetone, usually in a ratio of 6:3:1. After distillation, butanol, acetone and ethanol can be obtained respectively, and can also be used directly as total solvent without separation. 2. Carbonyl synthesis method (Reppe Process), Coke gas carbon monoxide and hydrogen, and propylene in high pressure and cobalt or rhodium catalyst in the presence of carbonyl synthesis of normal, isobutyraldehyde, after hydrogenation, n-butanol was fractionated. 3. Aldol condensation method from two molecules of acetaldehyde, condensation and dehydration of crotonaldehyde, crotonaldehyde in the presence of nickel chromium catalytic hydrogenation at 180 ℃ and 0.29MPa to produce n-butanol. By-product n-butanol can be used for the production of isooctyl alcohol. Production of 1T butanol by aldol condensation consumed 98.5%, acetaldehyde 1300kg, hydrogen 674kg. There are several preparation methods of n-butanol. Butanol fermentation in the past with tubers, grain or sugar as raw material, obtained by hydrolysis and fermentation. The product obtained from the fermentation broth contains about 54.8% ~ 58.5% of n-butanol, 30.9% ~ 33.7% of acetone and 7.8% ~ 14.2% of ethanol. With the development of petrochemical industry, the fermentation method is gradually eliminated. The reaction equation is as follows:(C6H10O5)n[n(H2O)]→ [strain] n-C6H12O6 [fermentation] → The fermentation broth obtained by ch3coc3 + C4H9OH + C2H5OH is fractionated to obtain acetone, ethanol and n-butanol. Acetaldehyde method using acetaldehyde as raw material, dilute alkali solution is added, and the temperature is below 20 ℃ to obtain 2-hydroxybutyraldehyde, which is terminated when the reaction reaches 50%, and the alkali is neutralized with acid, the unreacted acetaldehyde is recovered, and 2-hydroxybutyraldehyde is extracted at the bottom of the column, Then sulfuric acid, acetic acid and other acidic catalysts at 105~137 deg C to produce crotonaldehyde dehydration, and then hydrogenation of copper complex catalyst at 160~240 deg C to get crude n-butanol and butyraldehyde, after rectification to get the finished product. CH3CH = CHCHO + H2 [catalyst] CH3CH2CH2CHO + CH3CH2CH2CH2OH propylene carbonyl synthesis method propylene, carbon monoxide and hydrogen are reacted on the catalytic bed, the catalyst is zeolite adsorption cobalt salt or fatty acid cobalt, the reaction temperature is 130~160 ℃, and the reaction pressure is 20 ~ 25MPa. The reaction generates n-butyraldehyde and isobutyraldehyde, which are separated by distillation, and n-Butanol is obtained by catalytic hydrogenation of N-butyraldehyde. CH3CH2CH2CHO + H2 → CH3CH2CH2CH2OH can also be used to synthesize butanol from propylene, carbon monoxide and water in one step, the reaction temperature is 100~104 ℃, the pressure is 1.5MPa, using five carbonyl iron, N-butyl pyrrolidine and water mixture, but the propylene conversion per pass is low, only 8 ~ 10%. Reaction equation: CH3CH = CH2 + 3CO + 2H2O → n-C4H9OH +2CO2 |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 790 mg/kg; Intraperitoneal-mouse LD50: 603 mg/kg |
| stimulation data | Skin-rabbits 20 mg/24 h moderate; eye-rabbit 2 mg/24 h severe |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, oxidant flammable; In case of heat emission stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidant, chromium trioxide and aluminum |
| fire extinguishing agent | dry powder, water mist, carbon dioxide, foam |
| Occupational Standard | TWA 300 mg/m3 |
| spontaneous combustion temperature | 649 ° F. |
| immediate life-and health-threatening concentrations | 1,400 ppm |
Nature
colorless transparent liquid. Strong refraction. Soluble in ethanol, ether, hydrogen sulfide aqueous solution, slightly soluble in water. A constant boiling mixture consisting of 63% ethanol and 37% water with a constant boiling point of 92 °c and a solubility of 9. 1ml/10 ml (H2 O) in water at 25 °c. Its vapor and air can form an explosive mixture. Combustion explosion was caused by open flame and high heat energy. Contact with an oxidizing agent causes a severe reaction.
Preparation Method
The acetaldehyde is added into dilute alkali solution, and the reaction under normal pressure generates 2 hydroxybutyraldehyde, which is neutralized by alkali, and then decomposed by sulfuric acid, acetic acid and other acidic catalysts to obtain crotonaldehyde; then, the hydrogenation reaction was carried out in the presence of excess hydrogen with nickel and chromium as the catalyst to obtain n-butanol.
Standard
This product is 1-butanol, which can be obtained by carboxyl group synthesis or acetaldehyde synthesis, and can also be obtained by fermentation.
Trait
Authoritative Data Verified Data
- This product is colorless and clear liquid; With special pungent wine flavor.
- This product is soluble in water and can be freely miscible with ethanol and ether.
- relative density
The relative density of this product (General 0612) is 0. 807 to 0. 809 at 25°C.
distillation range
The distillation range of this product (General rule 0611) is 116~119°C, and the boiling distance is not more than 1 .5 C.
Use
standard substance for chromatographic analysis. For the Colorimetric Determination of arsenic acid, separation of potassium, sodium, lithium, chlorate solvent.
Differential diagnosis
Authoritative Data Verified Data
The infrared absorption spectrum of this product should be consistent with that of the reference product (General rule 0402).
Safety
rat oral LD50: 4360mg/kg; Rabbit percutaneous LD50: 3400mg/kg; Rat inhalation 4hlc50: 24240mg/m3. Flammable. Its vapor is irritating to the eyes and skin. Staff should be protected. If the skin and eyes are touched, they should be immediately rinsed with plenty of flowing water. Store in a cool, ventilated warehouse. Keep away from fire and heat source. The bin temperature should not exceed 30 ℃. Protection from direct sunlight. Keep the container sealed. Should be stored separately from the oxidant.
Exam
acidity
take 74ml of this product, add 2 drops of phenolphthalein indicator solution, the solution should be colorless, with ethanol potassium hydroxide titration solution (0.02mol/L) titration to a pink 1 5 seconds does not fade, consumption of ethanol to produce potassium hydroxide titration solution (0. 02mol/L) 2. 5ml.
aldehyde compounds
take 10. 0ml of this product, add 10ml of ammonia to prepare silver nitrate test solution, plug, mix well, stand still in the dark for 30 minutes, and the solution should not develop color.
Non-volatile
take 100ml of this product, put it in a 105X: Constant weight evaporation dish, steam dry it on a water bath, and then dry it for 30 minutes at 1 05V. The remaining residue should not pass 4mg.
dibutyl ether and related substances
measured by gas chromatography (General 0521).
chromatographic conditions and system suitability test
with polyethylene glycol -20m as the stationary liquid (or polar similar) capillary column, the column temperature is 7 5 1, the injection port temperature is 2 6 (T C, the detector temperature is 280*0. Take the equal volume mixed solution of dibutyl ether, 2-dingteng, isobutanol and n-butanol as the applicable solution of the system, take M 1, inject into the gas chromatograph, record the chromatogram, and the resolution of each peak shall meet the requirements.
assay
take 1M1 of this product, inject into gas chromatograph, record chromatogram. According to the area normalization method, the content of dibutyl ether shall not exceed 0.2%, and the sum of the peak areas of each impurity shall not be greater than 0.5% of the total peak area. Water content should not exceed 0832 (general rule, Method 1, 2).
Exam
acidity
take 74ml of this product, add 2 drops of phenolphthalein indicator solution, the solution should be colorless, with ethanol potassium hydroxide titration solution (0.02mol/L) titration to a pink 1 5 seconds does not fade, consumption of ethanol to produce potassium hydroxide titration solution (0. 02mol/L) 2. 5ml.
aldehyde compounds
take 10. 0ml of this product, add 10ml of ammonia to prepare silver nitrate test solution, plug, mix well, stand still in the dark for 30 minutes, and the solution should not develop color.
Non-volatile
take 100ml of this product, put it in a 105X: Constant weight evaporation dish, steam dry it on a water bath, and then dry it for 30 minutes at 1 05V. The remaining residue should not pass 4mg.
dibutyl ether and related substances
measured by gas chromatography (General 0521).
chromatographic conditions and system suitability test
with polyethylene glycol -20m as the stationary liquid (or polar similar) capillary column, the column temperature is 7 5 1, the injection port temperature is 2 6 (T C, the detector temperature is 280*0. Take the equal volume mixed solution of dibutyl ether, 2-dingteng, isobutanol and n-butanol as the applicable solution of the system, take M 1, inject into the gas chromatograph, record the chromatogram, and the resolution of each peak shall meet the requirements.
assay
take 1M1 of this product, inject into gas chromatograph, record chromatogram. According to the area normalization method, the content of dibutyl ether shall not exceed 0.2%, and the sum of the peak areas of each impurity shall not be greater than 0.5% of the total peak area. Water content should not exceed 0832 (general rule, Method 1, 2).
