cis-4-Hepten-1-ol

Base Information

• Chemical Name: cis-4-Hepten-1-ol
• CAS No.: 6191-71-5
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 29052990
• European Community (EC) Number: 228-238-2
• UNII: 802K6ZTP9Q
• DSSTox Substance ID: DTXSID30884234
• Nikkaji Number: J142.151D
• Wikidata: Q27269104
• Metabolomics Workbench ID: 44860
• Mol file: 6191-71-5.mol

Synonyms:cis-4-Hepten-1-ol;6191-71-5;(Z)-Hept-4-en-1-ol;(Z)-4-Hepten-1-ol;4-Hepten-1-ol, (4Z)-;(4Z)-hept-4-en-1-ol;(4Z)-4-Hepten-1-ol;cis-Hept-4-enol;4-Hepten-1-ol, (Z)-;4-Hepten-1-ol, cis-;UNII-802K6ZTP9Q;802K6ZTP9Q;EINECS 228-238-2;cis-4-heptenol;(Z)-4-HEPTENOL;SCHEMBL473593;FEMA NO. 3841;CUKAXHVLXKIPKF-ARJAWSKDSA-;FEMA 3841;DTXSID30884234;CHEBI:190000;CUKAXHVLXKIPKF-ARJAWSKDSA-N;LMFA05000571;MFCD00015575;cis-4-Hepten-1-ol, >=95.0%;(Z)-4-HEPTEN-1-OL [FHFI];HY-W127532;AS-81541;CS-0185758;H0833;EN300-1696781;Q27269104;InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-

Chemical Property of cis-4-Hepten-1-ol

Chemical Property:

• Vapor Pressure: 0.862mmHg at 25°C
• Melting Point: 26°C (estimate)
• Refractive Index: n20/D 1.445
• Boiling Point: 78 °C23 mm Hg(lit.)
• PKA: 15.12±0.10(Predicted)
• Flash Point: 60°C/24mm
• PSA: 20.23000
• Density: 0.850 g/mL at 20 °C(lit.)
• LogP: 1.72510
• Storage Temp.: Flammables area
• Water Solubility.: Soluble in alcohol. Insoluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-4-Hepten-1-ol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCCO
• Isomeric SMILES: CC/C=C\CCCO
• Uses: cis-4-Hepten-1-ol is used for green topnotes. It is used as a flavoring agent for strawberry, tomato, dry, hay notes of mimosa and tomato vine. It also acts as stabilizers, surfactants and emulsifiers.

Technology Process of cis-4-Hepten-1-ol

There total 34 articles about cis-4-Hepten-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: 89.0%

hept-4-yn-1-ol (42397-24-0) → (Z)-4-hepten-1-ol (6191-71-5)

Guidance literature:

With hydrogen; triethylamine; Lindlar's catalyst; In tetrahydrofuran;

Reference yield: 88.0%

(Z)-((hept-4-en-1-yloxy)methyl)benzene (1258760-09-6) → (Z)-4-hepten-1-ol (6191-71-5)

Guidance literature:

With triphenylphosphine hydrobromide; In acetonitrile; at 100 ℃; for 0.5h; Microwave irradiation; sealed tube;

DOI:10.1016/j.tetlet.2010.09.065

Reference yield: 84.0%

(Z)-4-heptenal (6728-31-0) → (Z)-4-hepten-1-ol (6191-71-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.5h;

DOI:10.1021/ol100046a

upstream raw materials:

4-oxobutyl acetate

n-propyltriphenylphosphonium bromide

C₉H₂₁NO₂

Hepten-3-saeure-ethylester

Downstream raw materials:

<(Z)-4-Heptenyl>-triphenylphosphonium-bromid

(2E,6Z)-2,6-nonadien-1-ol

(Z)-2-(2-pentenyl)-2-cyclopenten-1-one

cis-jasmone

Refernces

• 1、 -. "Synthesis method of aggregation pheromone (E)-cis-6, 7-epoxy-2-nonenal of Aromia bungii". Paragraph 0041; 0042; 0043; 0044; 0045. . Retrieved 2019/05/08.
• 2、 Donohoe, Timothy J.,Lindsay-Scott, Peter J.,Parker, Jeremy S.,Callens, Cedric K. A.. "New modes for the osmium-catalyzed oxidative cyclization". supporting information; experimental part. p. 1060 - 1063. Retrieved 2010/06/13.