But-2-en-1-ol

Base Information

• Chemical Name: But-2-en-1-ol
• CAS No.: 6117-91-5
• Molecular Formula: C4H8O
• Molecular Weight: 72.1069
• Hs Code.: 29052900
• European Community (EC) Number: 228-086-7
• DSSTox Substance ID: DTXSID2052283
• Mol file: 6117-91-5.mol

Synonyms:but-2-en-1-ol;2-Buten-1-ol;DTXSID2052283;2-buten-4-ol;2-buten -1-ol;METHYLALLYL ALCOHOL;AKOS028112391;FT-0611624

Chemical Property of But-2-en-1-ol

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 6.24mmHg at 25°C
• Melting Point: <-30oC
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 123.6 °C at 760 mmHg
• PKA: 14.70±0.10(Predicted)
• Flash Point: 37.2 °C
• PSA: 20.23000
• Density: 0.841 g/cm³
• LogP: 0.55480
• Storage Temp.: Flammables area
• Water Solubility.: Miscible with water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 72.057514874
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

99% ^*data from raw suppliers

CrotylAlcohol(cis/transMixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; F
• Hazard Codes: Xn,F
• Statements: 10-21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CCO
• Uses: Chemical intermediate, source of monomers, herbicide, and soil fumigant. Crotyl alcohol can be used as a starting material in the synthesis of antitumor agents such as 14-azacamptothecin and 10, 11-methylenedioxy-14-azacamptothecin. It can also be used as a precursor in the total synthesis of discodermolide.

Technology Process of But-2-en-1-ol

There total 148 articles about But-2-en-1-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ (E/Z)-2-buten-1-ol (6117-91-5,542-72-3)

Guidance literature:

DOI:10.1021/ja01469a045 DOI:10.1021/jo01024a028 DOI:10.1139/v69-616 DOI:10.1021/ja01466a053 DOI:10.1021/jo00900a051 DOI:10.1021/jo00427a021 DOI:10.1246/bcsj.44.1072 DOI:10.1016/S0040-4039(01)87949-1

Reference yield:

crotyl acetate (628-08-0) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3)

Guidance literature:

Hydrolysis;

Reference yield:

crotyl acetate (628-08-0) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3)

Guidance literature:

Hydrolysis;

upstream raw materials:

(E/Z)-crotyl bromide

2-hydroxy-3-butene

2-chloro-3-butene

1.3-butanediol

Downstream raw materials:

(E)-2-butenyl hexanoate

2,3-epoxybutan-1-ol

(E/Z)-crotyl bromide

3-bromo-1-butene