1,5,9-Decatriene

Base Information

• Chemical Name: 1,5,9-Decatriene
• CAS No.: 13393-64-1
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 2901299090
• European Community (EC) Number: 236-474-2
• UNII: 43LKX63VU7
• Nikkaji Number: J1.141.312I,J208.462G
• Mol file: 13393-64-1.mol

Synonyms:1,5,9-Decatriene;13393-64-1;Deca-1,5,9-triene;(5E)-deca-1,5,9-triene;(5Z)-1,5,9-Decatriene;EINECS 236-474-2;43LKX63VU7;E-1,5,9-Decatriene;UNII-43LKX63VU7;(5E)-1,5,9-Decatriene;(5E)-1,5,9-Decatriene #;GMGYODAMPOELNZ-MDZDMXLPSA-N;1,5,9-Decatriene, cis + trans;MFCD00055625;AKOS015913884;AKOS040744759;BS-22673;D1993;J-006457

Chemical Property of 1,5,9-Decatriene

Chemical Property:

• Vapor Pressure: 2.52mmHg at 25°C
• Melting Point: -27.17°C (estimate)
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 164.9 °C at 760 mmHg
• Flash Point: 41.8 °C
• PSA: 0.00000
• Density: 0.767g/cm³
• LogP: 3.47500
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 95.2

Purity/Quality:

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

1,5,9-Decatriene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34-38
• Safety Statements: 16-26-36-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,5,9-Decatriene

There total 11 articles about 1,5,9-Decatriene 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: 79.0%

(E)-1,4-dibromobutene (821-06-7) + allylmagnesium bromide (1730-25-2) → trans-1,5,9-decatriene (39139-91-8,13393-64-1,22146-85-6)

Guidance literature:

In diethyl ether; at 0 - 22 ℃; Inert atmosphere;

DOI:10.1021/ol2029383

Reference yield: 73.0%

diethyl 2,6,10-dodecatrienedioate → (2E,10E,6S,7S)-diethyl 6,7-dihydroxy-2,10-dodecadienedioate (869348-55-0) + (Z,E)-deca-1,5,9-triene (13393-64-1)

Guidance literature:

With AD-mix-α; methanesulfonamide; In water; tert-butyl alcohol; at 0 ℃;

DOI:10.1021/ol061352z

Reference yield: 72.0%

(E)-1,4-dibromobutene (821-06-7) + allyl bromide (106-95-6) → trans-1,5,9-decatriene (39139-91-8,13393-64-1,22146-85-6)

Guidance literature:

allyl bromide; With magnesium; In diethyl ether; for 3h;

(E)-1,4-dibromobutene; In diethyl ether;

DOI:10.1016/j.tetasy.2004.07.036

upstream raw materials:

vinyl magnesium bromide

allylzinc bromide

1,5-Hexadien

buta-1,3-diene

Downstream raw materials:

decane

(Z)-(1R,2R)-cyclooct-5-ene-1,2-diol

(2S,5S,2'S,5'S)-5'-Benzyloxymethyl-octahydro-[2,2']bifuranyl-5-carbaldehyde

(2S,5S,6S,9S)-1-benzyloxy-2,5;6,9-diepoxy-1-decanol