Allyl alcohol
Allyl alcohol
CAS: 107-18-6
Molecular Formula: C3H6O
Allyl alcohol - Names and Identifiers
| Name | Allyl alcohol |
| Synonyms | 2-PROPENOL Propene-3-ol 2-PROPEN-1-OL Allyl alcohol 1-Propen-3-ol 1-propenol-[3] prop-2-en-1-ol prop-1-en-2-ol 2-PROPENE-1-OL 1-propene-3-ol 3-Hydroxypropene ALLYL ALCOHOL pure ALLYL ALCOHOL, POLYMER-BOUND |
| CAS | 107-18-6 |
| EINECS | 203-470-7 |
| InChI | InChI=1/C3H6O/c1-3(2)4/h4H,1H2,2H3 |
Allyl alcohol - Physico-chemical Properties
| Molecular Formula | C3H6O |
| Molar Mass | 58.08 |
| Density | 0.854g/mLat 25°C(lit.) |
| Melting Point | -129 °C |
| Boling Point | 96-98°C(lit.) |
| Flash Point | 21°C |
| Water Solubility | MISCIBLE |
| Solubility | Miscible with alcohol, chloroform, ether, and petroleum ether (Windholz et al., 1983) |
| Vapor Presure | 23.8 mm Hg ( 25 °C) |
| Vapor Density | 2 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| Odor | Characteristic, pungent; sharp; causes tears. |
| Exposure Limit | TLV-TWA 5 mg/m3 (2 ppm); STEL 10mg/m3 (4 ppm) (ACGIH); IDLH 150 ppm. |
| Merck | 14,286 |
| BRN | 605307 |
| pKa | 15.5(at 25℃) |
| Storage Condition | Flammables area |
| Stability | Stability Flammable. Note low flash point and wide explosive limits. Forms explosive mixtures with air. Incompatible with strong oxidizing agents, strong acids, oleum, diallyl phosphite, metal halides |
| Explosive Limit | 18% |
| Refractive Index | n20/D 1.412(lit.) |
| Physical and Chemical Properties | Vapor Density: 2 (vs air) vapor pressure: 23.8mm Hg ( 25 ℃) freezing point:-129 ℃ storage conditions: flagmables area WGK Germany:2 RTECS:BA5075000 |
Allyl alcohol - Risk and Safety
| Risk Codes | R10 - Flammable R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R50 - Very Toxic to aquatic organisms |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S38 - In case of insufficient ventilation, wear suitable respiratory equipment. 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 1098 6.1/PG 1 |
| WGK Germany | 2 |
| RTECS | BA5075000 |
| TSCA | Yes |
| HS Code | 29052910 |
| Hazard Class | 6.1 |
| Packing Group | I |
| Toxicity | LD50 orally in rats: 64 mg/kg (Smyth, Carpenter) |
Allyl alcohol - Nature
Open Data Verified Data
a colorless liquid with a pungent mustard odor. The relative density was 0.8520. Freezing point -129 °c. Boiling point 96.9 °c. The critical temperature is 271.9. Flash point (closed cup) 22.2 °c. It becomes vitreous at -190 °c. Refractive index 4132. Miscible with water, ether, ethanol, chloroform and petroleum ether.
Last Update：2024-01-02 23:10:35
Allyl alcohol - Preparation Method
Open Data Verified Data
propylene oxide isomerization method
The process is simple, high yield, no corrosion, so the most widely used. This method is divided into two kinds: Gas phase method and liquid phase method, and the gas phase method is adopted in China. The description is as follows: Propylene oxide is gasified, preheated, and then passed into a suspension bed reactor through a distributor, and isomerized to obtain allyl alcohol in the presence of lithium phosphate catalyst at 280 ℃ ± 5 ℃ and a pressure of 11. 96MPa.
alkali hydrolysis of allyl chloride
It is the main industrial production method that was developed by Shell Oil Company and Dow Chemical Company respectively in 447 and still used so far.
acrolein reduction method
In the late 50 s of the 20th century, propylene was used as a raw material, and was oxidized to acrolein; Then hydrogen transfer reaction with isopropanol was carried out to obtain propylene alcohol and acetone.
propylene acetate method
The Development of propylene acetate technology provides an effective way for the large-scale industrial production of allyl alcohol and the development of its derivatives.
Last Update：2022-01-01 10:34:51
Allyl alcohol - Use
Open Data Verified Data
The production of glycerol, pharmaceuticals, pesticides, spices and cosmetics intermediates, but also the production of diallyl phthalate resin and BIS (2,3-bromopropyl) fumarate raw materials. Allyl Alcohol silane derivatives and copolymers with styrene are widely used in coatings and glass
Fiber industry. Allyl carbamate can be used in the photosensitive polyurethane coating and casting industry.
Last Update：2022-01-01 10:34:50
Allyl alcohol - Safety
Open Data Verified Data
- has a special odor, and can strongly stimulate the eyes, skin, throat, mucous membranes, in severe cases can cause blindness. Attached to the skin can make it red and scald, and quickly absorbed through the skin, causing liver disorders, nephritis, hematuria and other symptoms. One of the most toxic alcohol, rat oral LD50 64rng/kg. Dog oral LD50 40mg/kg. The maximum allowable concentration in the air of the production site is 5rng/m3, and the irritation is very strong at this concentration, which cannot be tolerated for a long time. When splash and skin should be washed with water and applied to oily drugs. Wear protective gear during operation.
- white iron drum packaging. The flammable and toxic substances shall be stored and transported according to the regulations.
Last Update：2022-01-01 10:34:52
Allyl alcohol - Reference Information
| freezing point | -129 ℃ |
| Henry's Law Constant | (x 10-6 atm?m3/mol):5.00 at 25 °C (Hine and Mookerjee, 1975) |
| LogP | 0.17 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | is the raw material for the preparation of glycerol, and is also used for the preparation of plasticizers, resins, drugs, etc. Propyl alcohol is the fungicide alpenzothiazole and The intermediate of the insecticide allenthrin. allyl alcohol is an intermediate in the production of glycerin, medicine, pesticide, perfume and cosmetics. It is also the raw material for the production of diallyl phthalate resin and bis (2, 3-dibromopropyl) fumarate. Silane derivatives of allyl alcohol and copolymers with styrene are widely used in coatings and glass fiber industries. Allyl carbamate can be used in photosensitive polyurethane coating and casting industry. The allyl alcohol molecule has alcohol hydroxyl and olefin double bonds, which can react with ether, ester, acetal and other compounds to prepare various products. Used as a reagent for the determination of mercury, used as a fixative in microscopic analysis, and also used in resin, plastic synthesis, etc. Used for the synthesis of epichlorohydrin, |
| production method | 1. propylene oxide isomerization method is simple, high yield, no corrosion, so it is the most widely used. The method is divided into gas phase method and liquid phase method, and the gas phase method is used in China. This is described as follows: propylene oxide is gasified and preheated, then enters the suspension bed reactor through a distributor, and isomerizes to obtain allyl alcohol in the presence of lithium phosphate catalyst at 280 ℃ 5 ℃ and 11.96MPa pressure. 2. Alkaline hydrolysis of chloropropene It is the main industrial production method developed by Shell Oil Company and Dow Chemical Company in 1947 respectively and still in use so far. 3. Acrolein reduction method In the late 1950s, propylene was used as raw material and oxidized to acrolein; then hydrogen transfer reaction with isopropanol was carried out to obtain acrylol and acetone. 4. The development of acrylic acetate technology by acrylic acetate method has improved an effective way for the large-scale industrial production of acrylic alcohol and the development of its derivatives. There are several preparation methods. After preheating, propylene oxide isomerization propylene oxide gasification enters the suspension bed reactor through a distributor, and the finished product is obtained by isomerization of propylene oxide with aluminum phosphate as catalyst at (200±5)℃, 98 ~ 196kPa pressure. Acrolein reduction method uses acrolein as raw material, isopropanol as reducing agent, reaction temperature 400 ℃, magnesium oxide and zinc oxide as catalysts to obtain finished products. Propyl alcohol from propylene is used as raw material, and is reacted with acetic acid and oxygen on a precious metal catalyst to obtain propylene acetate. The reaction is carried out in a fixed bed, and the obtained propylene acetate is hydrolyzed at 170~250°C and at least 500 kPa pressure., Can obtain allyl alcohol and acetic acid. The reaction equation is as follows: CH3CH = CH2 CH3COOH O2 → CH3COOCH2CH = CH2CH3COOCH2CH = CH2 H2O → CH3COOH CH2 = CHCH2OH |
| category | flammable liquid |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 64 mg/kg; Oral-mouse LD50: 96 mg/kg |
| stimulation data | eyes-rabbit 20 mg severe; Skin-rabbit 10 mg/24 hours |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | when exposed to open flame, high temperature, oxidant is flammable, combustion produces stimulating gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | TWA 5 mg/m3; STEL 10 mg/m3 |
| auto-ignition temperature | 712 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-threatening and health concentration | 20 ppm |
Last Update：2024-04-09 21:11:58
