propylic aldehyde
Propionaldehyde
CAS: 123-38-6
Molecular Formula: C3H6O
propylic aldehyde - Names and Identifiers
| Name | Propionaldehyde |
| Synonyms | C2H5CHO propanal NCI-C61029 propaldehyde Aldehyde C(3) femanumber2923 Propionaldhyde Propyl aldehyde Propionaldehyde Proprionaldehyde propylic aldehyde n-Propionaldehyde Methylacetaldehyde ethanecarbaldehyde Propionic aldehyde aldehydepropionique Ethylcarboxaldehyde aldehydepropionique(french) |
| CAS | 123-38-6 |
| EINECS | 204-623-0 |
| InChI | InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 |
| InChIKey | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
propylic aldehyde - Physico-chemical Properties
| Molecular Formula | C3H6O |
| Molar Mass | 58.08 |
| Density | 0.805 g/mL at 25 °C (lit.) |
| Melting Point | -81 °C (lit.) |
| Boling Point | 46-50 °C (lit.) |
| Flash Point | −16°F |
| JECFA Number | 83 |
| Water Solubility | 540 g/L (20 ºC) |
| Solubility | soluble in chloroform; miscible with alcohol and ether |
| Vapor Presure | 18.77 psi ( 55 °C) |
| Vapor Density | 2 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.815 (20/4℃) |
| Color | White |
| Exposure Limit | ACGIH: TWA 20 ppm |
| Merck | 14,7823 |
| BRN | 506010 |
| Storage Condition | Store at |
| Stability | Stable. Highly flammable. Incompatible with oxidizing agents, strong acids, strong bases. |
| Sensitive | Air Sensitive |
| Explosive Limit | 2.3-21%(V) |
| Refractive Index | n20/D 1.362(lit.) |
| Physical and Chemical Properties | Colorless transparent flammable liquid with asphyxiating and irritating odor. melting point -81 ℃ boiling point 47.9 ℃ relative density 0.7970 refractive index 1.3619 flash point -7.22 ~-9.44 ℃ |
| Use | For the preparation of synthetic fiber, rubber accelerator and antioxidant, can also be used as anti-freezing agent, lubricant, dehydrating agent |
propylic aldehyde - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R20/22 - Harmful by inhalation and if swallowed. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. |
| UN IDs | UN 1275 3/PG 2 |
| WGK Germany | 1 |
| RTECS | UE0350000 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 1.4 g/kg; LC for rats in air: 8000 ppm (Smyth) |
propylic aldehyde - Upstream Downstream Industry
| Downstream Products | 2,3,5-Collidine Propionic acid 2,2-Bis(hydroxymethyl)propionic acid Imidacloprid 2-Methyl-2-pentenoic acid |
propylic aldehyde - Nature
Open Data Verified Data
colorless transparent flammable liquid with asphyxiating irritating odor and moderate toxicity. The relative density was 0.7970. Melting Point 81 °c. Boiling point 47.9 °c. Flash point (Open Cup)-7. 22 ~-9. 44 ℃. Ignition point: 220 ℃. Refractive index (n2(0)1. 3619, viscosity (25 ℃)0.320mPa · s. Specific heat capacity (20 °c) 2.1856J/(g. °C). Heat of vaporization (0.1 MPa)896J/g. Vapor pressure (20 C) 34.4kPa. Surface tension 21.8 mN/m (20 °c).
Last Update：2024-01-02 23:10:35
propylic aldehyde - Preparation Method
Open Data Verified Data
- propylene oxide isomerization method 1,2 A propylene oxide in the presence of chromium vanadium catalyst by gas phase isomerization.
- The carbonyl synthesis method consists of a one-step reaction of ethylene with carbon monoxide and hydrogen. Initially, carbonyl drill was used as a catalyst at high pressure (14.7~19.6 MPa). In recent years, rhodium-phosphine complexes have been used as catalysts. The reaction temperature is 100 ℃ and the pressure is 1. 27-1. 47MPa. The method has no isomer and is simple to separate. In addition, there are propanol oxidation method and acrolein hydrogenation method.
Last Update：2022-01-01 10:16:20
propylic aldehyde - Use
Open Data Verified Data
important organic raw materials, can be used for the preparation of alkyd resin, high efficiency and low toxicity of pesticide herbicides, pesticides, antifreeze, fungicides, rubber accelerator and sedative drugs. It can also be used as a chain terminator for the polymerization of ethylene.
Last Update：2022-01-01 10:16:21
propylic aldehyde - Safety
Open Data Verified Data
- moderate toxicity. The skin, eyes, mouth, nasal mucosa have a stimulating effect, long-term inhalation or inhalation of a large number of asphyxiating symptoms. Rat oral ld501400 mg/kg.LC8000 × 10 -6, Operation Site should maintain good ventilation, the operator should wear protective equipment.
- sealed packaging with aluminum drum, 160kg per barrel. According to the provisions of flammable and toxic chemicals storage and transportation.
Last Update：2022-01-01 10:16:22
propylic aldehyde - Reference Information
Open Data Unverified Data
| FEMA | 2923 | PROPIONALDEHYDE |
| olfactory threshold (Odor Threshold) | 0.001ppm |
| LogP | 0.59 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by content analysis in "acetaldehyde (03401). The amount of sample taken is changed to 750mg. In the calculation, 0.5mol/L sulfuric acid solution per mL is equivalent to 29.04mg of propionaldehyde (C3H6O). |
| toxicity | LD50 orally in rats: 1.4 g/kg; LC for rats in air: 8000 ppm (Smyth) |
| usage limit | FEMA(mg/kg): soft drink 3.9; Cold drink 12; Candy 11; Baked food 13. Moderate limit (FDA § 172.515,2000). |
| use | mainly used to prepare alkyd resin, rubber accelerator and antioxidant, herbicide, pesticide, antifungal agent, propionic acid, propanol, propylamine, etc. GB 2760-1996 stipulates that spices are allowed to be used. Mainly used to prepare apple, cherry, chocolate and onion flavors. Propionaldehyde is an important raw material for fine chemicals. It is mainly used to produce intermediates such as n-propanol, propionic acid, trimethylol ethane, and proparaldehyde oxime, and further produce alkyd resins, pesticides, herbicides and pesticides, The drugs Mian Ertong and ethyl thiazine are also widely used in the production of fine chemicals in coatings, plastics, food, textile, feed, and rubber additives. It can also be used as a chain terminator for ethylene polymerization. n-propionaldehyde is an intermediate of the insecticides imidacloprid, acetamiprid, and pentene cyanothrin. It is also an intermediate of medicine mierton and pyrimethamine. used to make synthetic fibers, rubber accelerators and anti-aging agents, etc., can also be used as antifreeze, lubricant, dehydrating agent, etc. used to produce propanol, propionic acid and trimethylethane, Used to make synthetic resin, rubber accelerator and anti-aging agent. |
| Production method | The preparation method is based on the catalytic oxidation of propanol to obtain propionaldehyde, or the carbonyl synthesis method using ethylene, carbon monoxide, and hydrogen as raw materials. Cobalt or rhodium phosphine complex is the catalyst. If cobalt compound is used as catalyst, the reaction temperature is 100~200 ℃, and the pressure is 20~30MPa, which is carried out in a non-polar solvent. If rhodium phosphine complex is used as catalyst, low pressure synthesis method can be used. Reaction equation: CH2 = CH2 + CO + H2 [catalyst] → CH3CH2CHO although there are many preparation methods for propionaldehyde, industrial production did not begin until the early 1950s. in 1975, the United carbide company of the United States built the first large-scale plant with an annual output of 45,000 t using rhodium-phosphine as catalyst and low-pressure carbonyl synthesis of ethylene to propionaldehyde, and the low-pressure carbonyl synthesis method gradually became the main method and development direction of propionaldehyde production. Of the total production capacity of 230,000 t in the United States, Japan and Western Europe in 1981, more than 95% were produced by low-pressure carbonyl synthesis. 1. The carbonyl synthesis method is formed by the one-step reaction of ethylene, carbon monoxide and hydrogen. It was initially carried out under high pressure (14.7-19.6MPa) using cobalt carbonyl as a catalyst. In recent years, a synthesis method using rhodium phosphine complex as catalyst has been developed. The reaction temperature is 100 ℃ and the pressure is 1.27-1.47MPa. The method has no isomers and is easy to separate. 2. propylene oxide isomerization method 1,2-propylene oxide is obtained by gas phase isomerization in the presence of chromium vanadium catalyst. In addition, there are propanol oxidation and acrolein hydrogenation. Propylene is directly oxidized with palladium chloride as a catalyst to produce propionaldehyde, a 0.5-1.5% by-product of acetone. When the reaction temperature of palladium chloride content in the catalyst is increased, the proportion of propionaldehyde by-product can be increased to 50%. It is obtained by oxidizing n-propanol with dichromate. n-propanol vapor is obtained by passing through a copper catalyst at high temperature. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 1410 mg/kg; Oral-mouse LD50: 800 mg/kg |
| stimulation data | eyes-rabbit 20 mg/24 hours moderate; Skin-rabbit 5000 mg moderate |
| explosive hazard characteristics | blastable 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, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| auto-ignition temperature | 404 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:43:38
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Downstream Products for propylic aldehyde
2,3,5-Collidine
Propionic acid
2,2-Bis(hydroxymethyl)propionic acid
Imidacloprid
2-Methyl-2-pentenoic acid
Propionic acid
2,2-Bis(hydroxymethyl)propionic acid
Imidacloprid
2-Methyl-2-pentenoic acid