butalyde
Butyraldehyde
CAS: 123-72-8
Molecular Formula: C4H8O
butalyde - Names and Identifiers
| Name | Butyraldehyde |
| Synonyms | Butal butanal butalyde n-C3H7CHO n-butanal NCI-C56291 butaldehyde Butyraldehyde femanumber2219 Butyl Aldehyde n-butyraldehyde Butyrylaldehyde Butyric Aldehyde n-butanal(czech) n-butyl aldehyde n-Butyricaldehyde propanecarbaldehyde butyraldehyde(czech) Natural Butyraldehyde |
| CAS | 123-72-8 |
| EINECS | 204-646-6 |
| InChI | InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
butalyde - Physico-chemical Properties
| Molecular Formula | C4H8O |
| Molar Mass | 72.11 |
| Density | 0.817 |
| Melting Point | -96 °C |
| Boling Point | 75°C(lit.) |
| Flash Point | 12°F |
| JECFA Number | 86 |
| Water Solubility | 7.1 g/100 mL (25 ºC) |
| Solubility | water: soluble50g/L at 20°C |
| Vapor Presure | 90 mm Hg ( 20 °C) |
| Vapor Density | 2.5 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Odor | Pungent aldehyde; pungent and intense. |
| Exposure Limit | No exposure limit is set for n-butyraldehyde. |
| Merck | 14,1591 |
| BRN | 506061 |
| PH | 6-7 (71g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with oxidizing agents, strong bases, strong reducing agents, strong acids. Highly flammable. |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.7-11.1%(V) |
| Refractive Index | n20/D 1.380(lit.) |
| Physical and Chemical Properties | Character: colorless, transparent, flammable liquid, with asphyxiating aldehyde flavor. |
| Use | Main use; Used as resin, plastic plasticizer, vulcanization accelerator, insecticide and other intermediates, can also be used in organic synthesis, manufacturing perfume raw materials |
butalyde - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | R11 - Highly Flammable |
| Safety Description | S9 - Keep container in a well-ventilated place. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1129 3/PG 2 |
| WGK Germany | 1 |
| RTECS | ES2275000 |
| FLUKA BRAND F CODES | 13-23 |
| TSCA | Yes |
| HS Code | 2912 19 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | Single-dose LD50 orally in rats: 5.89 g/kg (Smyth) |
butalyde - Upstream Downstream Industry
| Raw Materials | Propylene |
| Downstream Products | 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol n-Butyric acid |
butalyde - Nature
Open Data Verified Data
colorless liquid. When concentrated, it has a pungent odor, and when diluted, it has a clear fragrance. It is flammable and compatible with many organic solvents.
Last Update：2024-01-02 23:10:35
butalyde - Preparation Method
Open Data Verified Data
results from the reaction of calcium butyrate with calcium formate. Alternatively, it is produced by steam dehydrogenation of butanol on the hot surface of a copper catalyst. It can also be decomposed into water and carbon monoxide by formic acid under the action of manganese oxide catalyst, and butyric acid can be reduced to butyraldehyde by its reducibility.
Last Update：2022-01-01 10:08:32
butalyde - Use
Open Data Verified Data
butyraldehyde is an important chemical raw material. It is also used for the preparation of essence and perfume, and it is contained in a variety of essential oils such as flowers, leaves, fruits, grass, dairy products, alcohol and the like in nature. Usually first diluted only after the preparation of flavor, for the coordination and increase the flow of the head from a certain effect.
Last Update：2022-01-01 10:08:32
butalyde - Safety
Open Data Verified Data
The acute oral LD50 of rats was 2.5g/kg, and the subcutaneous injection of LD50 in rats was 10.Og/kg. Guinea pig percutaneous LD50>20g/kg; Rabbit LD50 is 3.56g/kg, n-butyraldehyde has moderate irritation to guinea pig skin and severe irritation to rabbit eyes. In the human skin test with 4% Vaseline preparation, no sensitization reaction was observed.
Last Update：2022-01-01 10:08:33
butalyde - Reference Information
Open Data Unverified Data
| FEMA | 2219 | BUTYRALDEHYDE |
| pH range | 6-7 |
| olfactory Threshold | 0.00067ppm |
| LogP | 1.3 at 20℃ and pH4.4-4.7 |
| surface tension | 70mN/m at 1g/L and 20 ℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| properties | colorless transparent asphyxiating odor-stimulating liquid. Flammable. Slightly soluble in water, and ethanol, ether, acetone, toluene, ethyl acetate, oil and other organic solvents miscible. It has a stimulating effect on the mucous membrane of the respiratory tract. |
| Use | colorless transparent liquid, with asphyxiating odor, commonly used as resin, plastic plasticizer, vulcanization accelerator, intermediates for pesticides, etc. Butyraldehyde (C4H8O), in nature, flowers, leaves, fruits, grass, dairy products, alcohol and other essential oils have this component. Extremely diluted with flowing fragrance. It is used as an intermediate for resin, plastic plasticizer, vulcanization accelerator, insecticide, etc. n-butyraldehyde is used to prepare butyric acid, cellulose butyrate, polyvinyl butyral, etc. The product can be used as a solvent, a plasticizer, a rubber accelerator, a coating, a dispersant, an insecticide, and the like. It is used in organic synthesis and is also a raw material for manufacturing spices GB 2760-96 specifies edible spices that are allowed to be used. Mainly used in the preparation of bananas, caramel and other fruit-based flavor. butyraldehyde is an important intermediate. N-butanol can be obtained by hydrogenation of N-butyraldehyde; 2-Ethylhexanol can be obtained by condensation dehydration followed by hydrogenation, and n-butanol and 2-Ethylhexanol are the main raw materials of plasticizer. N-butyric acid can be prepared by the oxidation of n-butyl aldehyde; Trimethylolpropane can be prepared by condensation with formaldehyde, which is a plasticizer for the synthesis of alkyd resin and a raw material for air-drying oil; Oil-soluble resin can be prepared by condensation with phenol; alcohol-soluble resin can be prepared by condensation with urea; Products condensed with polyvinyl alcohol, butylamine, thiourea, diphenyl guanidine or methyl carbamate sulfide are raw materials and adhesives for preparing laminated safety glass, condensates with various alcohols are used as solvents for celluloid, resins, rubber and pharmaceutical products; The pharmaceutical industry is used for the manufacture of "mianertong", "pyrimethamine", methyl malate, etc. rubber binder, rubber accelerator, synthetic resin, production of butyric acid, etc., and a hexane solution thereof is a reagent for measuring ozone. It is used as a solvent for lipids, and is also used for the preparation of essences and fragrances and as a preservative. |
| preparation | 1, carbonyl synthesis method: Propylene, carbon monoxide and hydrogen as raw materials, high pressure method: cobalt carbonyl catalyst, 140~180°C, 19.6~31.3 MPa reaction, the disadvantage is large consumption, high cost; Low pressure method: carbonyl Rhodium phosphine catalyst, 90~120°C, 1.96 MPa reaction, low consumption, high yield, up to 98%. 2. Acetaldehyde condensation and water loss produce crotonaldehyde, which is then hydrogenated to give butyraldehyde. 3. Preparation by dehydrogenation of butanol. |
| content analysis | refer to the content analysis method of acetaldehyde (03401), in which the amount of sample taken is changed to mg. The reaction time was changed to 60min. Each ml of 0.5mol/L H2SO4 solution is equivalent to 36.06mg of butyraldehyde (C4H8O). |
| toxicity | GRAS(FEMA). LD50 2490 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 0.71; Cold drinks 4.8; Candy 2.9; Baked goods 5.4; alcohol 0.50; Sugar coating 0.25. Moderate limits (FDA § 172.515,2000). |
| production method | at present, the following methods are used for butyraldehyde production: 1. Propylene carbonyl synthesis propylene and synthesis gas are subjected to a carbonyl synthesis reaction in the presence of a Co or Rh catalyst to produce N-and ISO-butyraldehyde. Due to the different catalysts and process conditions used, it can be divided into a high pressure carbonyl synthesis method using cobalt carbonyl as a catalyst and a low pressure carbonyl synthesis method using a carbonyl Rhodium phosphine complex as a catalyst. The high pressure method has high reaction pressure and more by-products, thus increasing the production cost. Low pressure carbonyl synthesis reaction pressure is low, isomer ratio is 8-10:1, less by-products, high conversion rate, raw materials, low power consumption, simple equipment, short process, shows excellent economic effect, it developed rapidly. 2. Acetaldehyde condensation method. Butanol oxidative dehydrogenation method using silver as a catalyst, from butanol by one-step air oxidation, and then the reactants condensation, separation, distillation and to get the finished product. obtained by dry distillation of calcium butyrate and calcium formate. The vapor is obtained by dehydrogenation of the catalyst. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2490 mg/kg; Intraperitoneal-mouse LD50: 1140 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h severe; eye-rabbit 75 μg severe |
| explosive hazard characteristics | explosive when mixed with air; When mixed with chlorosulfonic acid, nitric acid, sulfuric acid, strong reaction of fuming sulfuric acid |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, carbon dioxide, foam |
| Occupational Standard | SEL 5 mg/m3 |
| spontaneous combustion temperature | 390 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:43:38
butalyde - Introduction
chemical properties
Colorless transparent flammable liquid with asphyxiating aldehyde smell. Slightly soluble in water. Miscible with ethanol, ether, ethyl acetate, acetone, toluene, a variety of other organic solvents and oils.
Use
Used in organic synthesis and a raw material for making spices
Use
GB 2760-96 specifies edible spices that are allowed to be used. Mainly used to prepare bananas, caramel and other fruit flavors.
Use
butyraldehyde is an important intermediate. n-butanol can be produced by hydrogenation of n-butanal; 2-ethylhexanol can be produced by condensation dehydration and then hydrogenation, and n-butanol and 2-ethylhexanol are the main raw materials of plasticizers. n-butyric acid can be produced by oxidation of n-butyric acid; trimethylolpropane can be produced by condensation with formaldehyde, which is a plasticizer for synthesis of alkyd resin and a raw material for air drying oil; condensation with phenol to produce oil-soluble resin; condensation with urea can produce alcohol-soluble resin; products condensed with polyvinyl alcohol, butylamine, thiourea, diphenylguanidine or methyl carbamate are raw materials and, condensation with various alcohols is used as a solvent for celluloid, resin, rubber and pharmaceutical products; the pharmaceutical industry is used to make "Mianerton", "pyrimethamine", and amylamide.
Use
Rubber glue, rubber accelerator, synthetic resin ester, manufacturing butyric acid, etc. Its hexane solution is a reagent for determining ozone. Used as a solvent for lipids, also used in the preparation of flavors and fragrances and as a preservative.
Production method
at present, the production methods of butyraldehyde adopt the following methods: 1. propylene carbonyl synthesis method propylene and synthesis gas carry out carbonyl synthesis reaction in the presence of Co or Rh catalyst to generate n-butyraldehyde and isobutyraldehyde. Due to the different catalysts and process conditions used, it can be divided into high-pressure carbonyl synthesis with cobalt carbonyl as catalyst and low-pressure carbonyl synthesis with rhodium carbonyl phosphine complex as catalyst. The high pressure method has high reaction pressure and many by-products, thus increasing the production cost. The low-pressure carbonyl synthesis method has low reaction pressure, positive isomer ratio of 8-10:1, less by-products, high conversion rate, low raw materials, low power consumption, simple equipment, short process, showing excellent economic effects and rapid development. 2. Acetaldehyde condensation method. 3. Butanol oxidative dehydrogenation method uses silver as a catalyst, and butanol is oxidized by air in one step, and then the reactants are condensed, separated, and rectified to obtain the finished product.
Production method
It is obtained by dry distillation of calcium butyrate and calcium formate.
The vapor is obtained by dehydrogenation of the catalyst.
category
flammable liquids
Toxicity classification
Poisoning
acute toxicity
oral-rat LD50: 2490 mg/kg; Abdominal-mouse LD50: 1140 mg/kg
Stimulus data
skin-rabbit 500 mg/24 hours severe; Eyes-rabbit 75 micrograms severe
explosive hazard characteristics
It can be exploded when mixed with air; it reacts violently with chlorosulfonic acid, nitric acid, sulfuric acid, and fuming sulfuric acid
flammability hazard characteristics
It is flammable in case of open flames, high temperatures, and oxidants; combustion produces irritating smoke
storage and transportation characteristics
The warehouse is ventilated and dry at low temperature; stored separately from oxidants and acids
Fire extinguishing agent
Dry powder, carbon dioxide, foam
occupational standards
STEL 5 mg/m3
Last Update：2023-08-16 22:24:45
butalyde - Content analysis
refer to the content analysis method of "acetaldehyde (03401)" for the method used, in which the sample amount taken is changed to 900mg. The reaction time was changed to 60min. In the calculation, 0.5mol/L H2SO4 solution per mL is equivalent to 36.06mg of butyraldehyde (C4H8O).
Last Update：2024-04-10 22:29:15
butalyde - Toxicity
GRAS(FEMA). LD50 2490 mg/kg (rat, oral).
Last Update：2024-04-10 22:29:15
butalyde - Preparation
1. Carbonyl synthesis method: using propylene, carbon monoxide and hydrogen as raw materials,
High pressure method: cobalt carbonyl catalysis, reaction at 140~180°C, 19.6~31.3MPa, the disadvantage is high consumption and high cost;
low pressure method: carbonyl rhodium phosphine catalysis, reaction at 90~120°C, 1.96MPa, low consumption, high yield, up to 98%.
2, acetaldehyde condensation, water loss to produce crotonaldehyde, the latter is hydrogenated to obtain butyraldehyde.
3. Prepared by dehydrogenation of butanol.
Last Update：2024-04-10 22:29:15
butalyde - Use
Open Data Unverified Data
colorless transparent liquid with suffocating smell, commonly used as intermediate for resin, plastic plasticizer, vulcanization accelerator, pesticide, etc. Butyraldehyde (C4H8O), a variety of essential oils such as flowers, leaves, fruits, grasses, dairy products, and alcohol in nature have this component. Extreme dilution has an elegant fragrance.
Used as an intermediate for resins, plastic plasticizers, vulcanization accelerators, pesticides, etc. N-butyraldehyde is used to prepare butyric acid, cellulose butyric acid, polyvinyl butyral, etc.
The product can be used as a solvent, plasticizer, rubber accelerator, coating, dispersant, pesticide, etc.
Last Update：2024-04-09 19:43:38
butalyde - Use limit
Open Data Unverified Data
FEMA(mg/kg): soft drink 0.71; Cold drink 4.8; Candy 2.9; Baked food 5.4; Alcohol 0.50; Sugar-coated 0.25. Moderates are limited (FDA & sect;172.515,2000).
Last Update：2024-04-09 19:43:38
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Raw Materials for butalyde
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