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HomeProduct name list3-Buten-1-ol

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: 2024-12-18 14:07:02
3-Buten-1-ol Structural

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%.

synthesis of 3-Buten-1-ol

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  n20/D 1.421(lit.)
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)
ghs
Flame
Flammables
GHS02
ghs
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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