1,6-HEPTADIEN-4-OL

Base Information

• Chemical Name: 1,6-HEPTADIEN-4-OL
• CAS No.: 2883-45-6
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• Hs Code.: 29052990
• European Community (EC) Number: 220-742-0
• NSC Number: 97509
• UNII: VD28S33WW8
• DSSTox Substance ID: DTXSID70870999
• Nikkaji Number: J49.271J
• Mol file: 2883-45-6.mol

Synonyms:4-Hydroxy-1,6-heptadiene;NSC 97509;1,6-Heptadien-4-ol;

Chemical Property of 1,6-HEPTADIEN-4-OL

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid
• Vapor Pressure: 1.41mmHg at 25°C
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 150.999 °C at 760 mmHg
• Flash Point: 40 °C
• PSA: 20.23000
• Density: 0.849 g/cm³
• LogP: 1.49950
• Storage Temp.: Flammables area
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 66.5

Purity/Quality:

97% ^*data from raw suppliers

1,6-Heptadien-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C=CCC(CC=C)O
• Uses: 1,6-Heptadien-4-ol (monoterpene alcohol) was used as the internal standard in the quantitation and identification of the important aroma components in wine. It was used to study the co- and terpolymerization reactions of carbon monoxide and propene with dicationic biphosphine palladium(II) as the catalyst.

Technology Process of 1,6-HEPTADIEN-4-OL

There total 20 articles about 1,6-HEPTADIEN-4-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: 96.0%

allyl bromide (106-95-6) + formic acid ethyl ester (109-94-4) → 1, 6-heptadien-4-ol (2883-45-6)

Guidance literature:

With magnesium; In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/jo0617262

Reference yield: 94.0%

allylmagnesium bromide (2622-05-1) + formic acid ethyl ester (109-94-4) → 1, 6-heptadien-4-ol (2883-45-6)

Guidance literature:

allylmagnesium bromide; formic acid ethyl ester; In tetrahydrofuran; at 0 ℃; Reflux; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; at 0 ℃;

DOI:10.1039/c1dt10503e

Reference yield: 92.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) + allyl bromide (106-95-6) → 1, 6-heptadien-4-ol (2883-45-6)

Guidance literature:

With copper; tin(ll) chloride; In water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)02370-5

upstream raw materials:

allyl iodid

ethyl iodide

formic acid ethyl ester

2-iodo-propane

Downstream raw materials:

C₁₇H₂₈OSi₂

1,3,5-heptatriene

trans-1,3,6-heptatriene

cis-1,3,6-heptatriene

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