6-Hepten-3-ol

Base Information

• Chemical Name: 6-Hepten-3-ol
• CAS No.: 19781-77-2
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• Hs Code.: 2905290000
• DSSTox Substance ID: DTXSID40941569
• Nikkaji Number: J461.022I
• Mol file: 19781-77-2.mol

Synonyms:6-Hepten-3-ol;hept-6-en-3-ol;19781-77-2;1-Hepten-5-ol;Allylmethylathylcarbinol;3-Butenyl ethyl carbinol;SCHEMBL2470235;DTXSID40941569;MFCD00046683;AKOS009157824;SB84375;AS-56580;FT-0637907;EN300-4207978;A880017

Chemical Property of 6-Hepten-3-ol

Chemical Property:

• Vapor Pressure: 0.697mmHg at 25°C
• Melting Point: 26°C (estimate)
• Refractive Index: 1.4311 (estimate)
• Boiling Point: 163.6°Cat760mmHg
• PKA: 15.20±0.20(Predicted)
• Flash Point: 59.8°C
• PSA: 20.23000
• Density: 0.833g/cm³
• LogP: 1.72350
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 59.4

Purity/Quality:

97% ^*data from raw suppliers

6-Hepten-3-ol, 99% ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC=C)O

Technology Process of 6-Hepten-3-ol

There total 6 articles about 6-Hepten-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: 74.0%

1-bromo-4-butene (5162-44-7) + propionaldehyde (123-38-6) → hept-6-en-3-ol (19781-77-2)

Guidance literature:

1-bromo-4-butene; With magnesium; In diethyl ether;

propionaldehyde; In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1021/ja0617892

Reference yield:

hept-6-en-3-one (2565-39-1) → hept-6-en-3-ol (19781-77-2)

Guidance literature:

With ethanol; sodium;

Reference yield:

ethyl bromide (74-96-4) + 4-pentenal (2100-17-6) → hept-6-en-3-ol (19781-77-2)

Guidance literature:

With magnesium; iodine; Yield given. Multistep reaction; 1) a) heating, b) diethyl ether, reflux, 45 min, c) r.t., 2) diethyl ether, reflux, 2 h;

upstream raw materials:

hept-6-en-3-one

1-bromo-4-butene

ethyl bromide

4-pentenal

Downstream raw materials:

2-ethyl-5-methyl-tetrahydro-furan

3-acetoxy-6-heptene

dimethylglyoxal

hexan-4-olide