3-Buten-1-ol
Synonym(s):Allylcarbinol
- CAS NO.:627-27-0
- Empirical Formula: C4H8O
- Molecular Weight: 72.11
- MDL number: MFCD00002959
- EINECS: 210-991-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-24 19:19:26
What is 3-Buten-1-ol?
Chemical properties
liquid
The Uses of 3-Buten-1-ol
3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.
The Uses of 3-Buten-1-ol
3-Buten-1-ol is employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers catalyzed by ferric chloride.
The Uses of 3-Buten-1-ol
Employed in a study of the Mn-catalyzed hydrohydrazination of olefins. Also used in a study of the conversion of propargylic acetates to ethers cataylzed by ferric chloride.
Definition
ChEBI: 3-Buten-1-ol is a primary alcohol.
General Description
3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst. The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data. Its microwave spectrum has been recorded and analyzed. The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied. Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1.
Hazard
3-Buten-1-ol is strongly irritating to the skin and eyes. it may cause respiratory irritation. it is toxic to aquatic organisms and has long lasting effects.
Synthesis
The synthesis of 3-Buten-1-ol is as follows:After adding 24.3 g (1 mol) of magnesium turnings, 50 g of diethyl ether and 1 ml of dibromoethane in a 500 mL four-necked flask,A solution of 62.5 g of vinyl chloride (1 mol) dissolved in 200 g of diethyl ether was added dropwise to magnesium and diethyl ether, and the micro reflux was controlled, and the dropwise addition was completed, and the mixture was kept under a micro reflux for 2 hours, and the temperature was lowered to -5 °C;Then 44 g (1 mol) of ethylene oxide was dissolved in 60 g of diethyl ether. Ethylene oxide is added dropwise to the vinylmagnesium chloride solution prepared above, control the temperature -5-5 degrees, and stir at this temperature for 1 hour. Sampling gas phase analysis until the reaction is complete; pour the reaction solution into a 1000 mL beaker, Add 200mL of ice water and add ammonium chloride until the residual magnesium disappears. Control the temperature 0-10 ° C, stir for 1 hour after the addition, add salt to saturation, static layering. The organic layer was separated and washed twice with 100 ml of saturated brine, and a polymerization inhibitor was added. The product is subjected to rectification to obtain 53 g of 3-buten-1-ol, and the content is 99.2%. The yield was 73.6%.
Properties of 3-Buten-1-ol
Melting point: | -31.44°C (estimate) |
Boiling point: | 112-114 °C (lit.) |
Density | 0.838 g/mL at 25 °C (lit.) |
refractive index | n |
Flash point: | 90 °F |
storage temp. | Sealed in dry,Store in freezer, under -20°C |
solubility | soluble in Chloroform, Methanol |
pka | 15.04±0.10(Predicted) |
form | Liquid |
color | Clear colorless to slightly yellow |
Specific Gravity | 0.843 |
explosive limit | 2-28%(V) |
Water Solubility | SOLUBLE |
BRN | 1633504 |
Stability: | Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. Flammable. |
CAS DataBase Reference | 627-27-0(CAS DataBase Reference) |
NIST Chemistry Reference | 3-Buten-1-ol(627-27-0) |
EPA Substance Registry System | 3-Buten-1-ol (627-27-0) |
Safety information for 3-Buten-1-ol
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Buten-1-ol
InChIKey | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
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