3,7-Dimethylocta-1,3,7-triene

Base Information

Chemical Name:3,7-Dimethylocta-1,3,7-triene
CAS No.:6874-10-8
Molecular Formula:C10H16
Molecular Weight:136.237
Hs Code.:2901299090
European Community (EC) Number:207-957-5
UNII:8DBO41SLJL
DSSTox Substance ID:DTXSID001042902
Nikkaji Number:J10.704B,J8.855B,J8.856K
Wikidata:Q26776996
Metabolomics Workbench ID:28022
Mol file:6874-10-8.mol

Synonyms:alpha-cis-ocimene;alpha-ocimene

Suppliers and Price of 3,7-Dimethylocta-1,3,7-triene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 3,7-Dimethylocta-1,3,7-triene

Chemical Property:

Boiling Point:170.2±10.0 °C(Predicted)
PSA：0.00000
Density:0.769±0.06 g/cm3(Predicted)
LogP:3.47500
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:4
Exact Mass:136.125200510
Heavy Atom Count:10
Complexity:149

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)CCC=C(C)C=C
Isomeric SMILES:CC(=C)CC/C=C(\C)/C=C

Technology Process of 3,7-Dimethylocta-1,3,7-triene

There total 10 articles about 3,7-Dimethylocta-1,3,7-triene 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: 100.0%

: 25571-06-6
(E)-2,6-dimethylhepta-2,6-dienal

: 1779-49-3
Methyltriphenylphosphonium bromide

: 6874-10-8,502-99-8
1,3,7-octatriene, 3,7-dimethyl-, (E)

Guidance literature:: Methyltriphenylphosphonium bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1.16667h; Inert atmosphere;

(E)-2,6-dimethylhepta-2,6-dienal; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 6.5h; Inert atmosphere;
DOI:10.1021/jacs.1c02674

Reference yield:

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 78-79-5,9003-31-0
isoprene

: 2258-59-5
4-methyl-4-pentenoic acid methyl ester

: 6874-10-8,502-99-8
1,3,7-octatriene, 3,7-dimethyl-, (E)

: 1119-16-0
isocaproic aldehyde

: 4,8-dimethylnon-8-enal

Guidance literature:: With hydrogen; tributylphosphine; cobalt(II) acetate; at 80 ℃; for 36h; under 60004.8 Torr; Product distribution; Irradiation;

Reference yield:

: 6552-32-5
2-methylprop-2-enyl vinyl ether

: 6874-10-8,502-99-8
1,3,7-octatriene, 3,7-dimethyl-, (E)

Guidance literature:: Multi-step reaction with 5 steps

1: 3 h / 120 °C

2: (i) NaH, MeOCH₂CH₂OMe, THF, (ii) /BRN= 1901595/

3: LiAlH₄ / diethyl ether / Heating

4: MnO₂ / petroleum ether

5: (i) NaH, DMSO, (ii) /BRN= 2072898/, THF

With manganese(IV) oxide; lithium aluminium tetrahydride; In diethyl ether; Petroleum ether;