(E)-3-Decenol

Base Information

• Chemical Name: (E)-3-Decenol
• CAS No.: 69093-74-9
• Molecular Formula: C10H20O
• Molecular Weight: 156.2652
• European Community (EC) Number: 233-733-1
• UNII: MVQ5Y2JYTM
• DSSTox Substance ID: DTXSID40884462
• Nikkaji Number: J82.053I,J82.202G
• Wikidata: Q27161361
• Mol file: 69093-74-9.mol

Synonyms:(E)-3-Decenol;trans-3-Decen-1-ol;3-Decen-1-ol;3-Decen-1-ol, (E)-;3-Decen-1-ol, (3E)-;10339-60-3;(E)-3-decen-1-ol;(E)-dec-3-en-1-ol;MVQ5Y2JYTM;UNII-MVQ5Y2JYTM;EINECS 233-733-1;69093-74-9;(3E)-3-Decen-1-ol;Slaterol;3-decenol;trans-3-Decenol;dec-3-enol;3-DECENOL [INCI];1-DECEN-3OL;SCHEMBL1129213;DTXSID40884462;MTIJDFJGPCJFKE-UHFFFAOYSA-N;AKOS024264262;Q27161361

Chemical Property of (E)-3-Decenol

Chemical Property:

• Melting Point: -4.05°C (estimate)
• Refractive Index: 1.4463 (estimate)
• Boiling Point: 230.1°Cat760mmHg
• Flash Point: 86.5°C
• PSA: 20.23000
• Density: 0.845g/cm³
• LogP: 2.89540
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 86.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC=CCCO
• Isomeric SMILES: CCCCCC/C=C/CCO

Technology Process of (E)-3-Decenol

There total 4 articles about (E)-3-Decenol 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:

2,3-<2-2H>decadienethioic acid (S)-2-(acetylamino)ethyl ester (27007-76-7) → 3-decen-1-ol (69093-74-9)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 4 ℃; for 0.333333h;

DOI:10.1021/ja00307a037

Reference yield:

3-bromo-3-<2-2H>decenethioic acid (S)-2-(acetylamino)ethyl ester (98821-69-3) → 3-decen-1-ol (69093-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / DBN / diethyl ether / 0.33 h / -60 °C

2: NaBH₄ / tetrahydrofuran / 0.33 h / 4 °C

With sodium tetrahydroborate; 2,6-dichloro-benzonitrile; In tetrahydrofuran; diethyl ether;

DOI:10.1021/ja00307a037

Reference yield:

3-decyn-1-ol (51721-39-2) → 3-decen-1-ol (69093-74-9)

Guidance literature:

With hydrogen; Lindlar's catalyst;

DOI:10.1016/j.tetlet.2005.05.027

upstream raw materials:

2,3-<2-2H>decadienethioic acid (S)-2-(acetylamino)ethyl ester

3-decyn-1-ol

3-bromo-3-<2-2H>decenethioic acid (S)-2-(acetylamino)ethyl ester

Refernces

• 1、 Schwab, John M.,Lin, Daniel C. T.. "Stereochemical Course of an Enzyme-Catalyzed Allene-Acetylene Isomerization". . p. 6046 - 6052. Retrieved 2007/10/02.