3-Hepten-1-ol

Base Information

• Chemical Name: 3-Hepten-1-ol
• CAS No.: 2108-05-6
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• European Community (EC) Number: 218-292-5
• UNII: 81C6I6M8QZ
• DSSTox Substance ID: DTXSID20883796
• Nikkaji Number: J126.442G,J110.464K
• Wikidata: Q27893778
• Mol file: 2108-05-6.mol

Synonyms:3-Hepten-1-ol;(E)-Hept-3-en-1-ol;10606-47-0;2108-05-6;3-Hepten-1-ol, (3E)-;trans-3-Hepten-1-Ol;trans-3-Heptenol;(3E)-3-Hepten-1-ol;3-Hepten-1-ol, (E)-;81C6I6M8QZ;3-heptenol;UNII-VW3O51CET7;(E)-3-HEPTENOL;UNII-81C6I6M8QZ;VW3O51CET7;(3E)-hept-3-en-1-ol;3-hepten-1-ol, AldrichCPR;SCHEMBL531136;(E)-3-HEPTEN-1-OL;DTXSID20883796;SDZQUCJFTUULJX-UHFFFAOYSA-N;EINECS 218-292-5;AKOS006229260;Q27893778

Chemical Property of 3-Hepten-1-ol

Chemical Property:

• Vapor Pressure: 0.579mmHg at 25°C
• Boiling Point: 166.8°Cat760mmHg
• Flash Point: 64°C
• PSA: 20.23000
• Density: 0.844g/cm³
• LogP: 1.72510
• XLogP3: 1.9
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCCO
• Isomeric SMILES: CCC/C=C/CCO

Technology Process of 3-Hepten-1-ol

There total 11 articles about 3-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: 95.0%

3-heptyn-1-ol (14916-79-1) → trans-3-hepten-1-ol (2108-05-6)

Guidance literature:

With ammonia; sodium; for 1h;

DOI:10.1021/jo00375a065

Reference yield:

(E)-hept-3-enoic acid (29901-85-7,68676-74-4,28163-84-0) → trans-3-hepten-1-ol (2108-05-6)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01085a033

Reference yield:

pentanal (110-62-3) → trans-3-hepten-1-ol (2108-05-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / piperidinium acetate / xylene / 3 h / Heating; continuous removal of the water formed

2: LiAlH₄

With lithium aluminium tetrahydride; piperdinium acetate; In xylene;

DOI:10.1016/S0040-4039(00)95658-2

upstream raw materials:

(E)-hept-3-enoic acid

3-heptyn-1-ol

4-(tert-butoxy)hept-2-yn-1-ol

1-acetoxy-hept-3t-ene

Downstream raw materials:

trans-2-hexenaldehyde

(3E)-1-tert-butyldiphenylsilyloxy-3-heptene

1-(4-Amino-2-methoxy-phenoxy)-hepten-⁽³⁾

Refernces

• 1、 Lorber, Katja,Schieberle, Peter,Buettner, Andrea. "Influence of the chemical structure on odor qualities and odor thresholds in homologous series of alka-1,5-dien-3-ones, alk-1-en-3-ones, alka-1,5-dien-3-ols, and alk-1-en-3-ols". . p. 1025 - 1031. Retrieved 2015/04/22.
• 2、 Vasil'ev, A. A.,Cherkaev, G. V.,Nikitina, M. A.. "COMPOUNDS WITH A HERBAL ODOR VI. THE E ISOMERS OF THE STRUCTURAL ANALOGS OF LEAF ALCOHOL". . p. 870 - 875. Retrieved 2007/10/02.