3-Methyl-1-penten-3-ol

Base Information

• Chemical Name: 3-Methyl-1-penten-3-ol
• CAS No.: 918-85-4
• Deprecated CAS: 86361-10-6
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• European Community (EC) Number: 213-044-2
• NSC Number: 128156
• DSSTox Substance ID: DTXSID90870794
• Nikkaji Number: J69.503C
• Wikidata: Q27160219
• Mol file: 918-85-4.mol

Synonyms:3-methyl-1-penten-3-ol

Chemical Property of 3-Methyl-1-penten-3-ol

Chemical Property:

• Vapor Pressure: 9.36mmHg at 25°C
• Melting Point: 22.55°C (estimate)
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 115.9°Cat760mmHg
• PKA: 14.56±0.29(Predicted)
• Flash Point: 26°C
• PSA: 20.23000
• Density: 0.833g/cm³
• LogP: 1.33340
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in alcohol.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 68.6

Purity/Quality:

99.9% ^*data from raw suppliers

3-Methyl-1-penten-3-ol, 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 16-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C=C)O

Technology Process of 3-Methyl-1-penten-3-ol

There total 28 articles about 3-Methyl-1-penten-3-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: 98.0%

meparfynol (77-75-8) → 3-hydroxy-3-methyl-1-pentene (918-85-4)

Guidance literature:

With quinoline; hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; under 760.051 Torr;

DOI:10.1021/jo001246p

Reference yield: 97.0%

meparfynol (77-75-8) → 3-hydroxy-3-methyl-1-pentene (918-85-4) + 3-methylpentan-3-ol (77-74-7)

Guidance literature:

With hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; for 0.0666667h; under 760.051 Torr; Further Variations:; Catalysts; reaction time; Product distribution; Kinetics;

DOI:10.1021/jo001246p

Reference yield: 96.0%

(bicyclo<2.2.1>heptene-5 yle-2)-1 methyl-1 propanol-1 (17385-46-5,118508-36-4,118508-53-5) → 3-hydroxy-3-methyl-1-pentene (918-85-4)

Guidance literature:

at 550 ℃; under 0.01 Torr;

DOI:10.1016/S0040-4020(01)91839-3

upstream raw materials:

meparfynol

3-Methyl-cis-2-penten

(E)-3-methyl-2-pentene

5-benzenesulfonyl-3-methyl-pent-1-en-3-ol

Downstream raw materials:

acetic acid-(3-methyl-pent-2-enyl ester)

4-(3-methyl-pent-2-enyl)-phenol

3-methylpentan-3-ol

C₁₇H₂₃NO₅