496839

3-Buten-1-ol

96%

• Synonym(s): Allylcarbinol
• Linear Formula: CH₂=CHCH₂CH₂OH
• CAS Number: 627-27-0
• Molecular Weight: 72.11
• Beilstein/REAXYS Number: 1633504
• EC Number: 210-991-3
• MDL number: MFCD00002959
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873086
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• refractive index: n20/D 1.421 (lit.)
• bp: 112-114 °C (lit.)
• density: 0.838 g/mL at 25 °C (lit.)
• functional group: allyl; hydroxyl
• SMILES string: OCCC=C
• InChI: 1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
• InChI key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N

Description

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.

Application

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 91.4 °F - closed cup
• flash_point_c: 33 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter