3,7-Dimethyl-1,7-octadien-3-ol

Base Information

• Chemical Name: 3,7-Dimethyl-1,7-octadien-3-ol
• CAS No.: 598-07-2
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• European Community (EC) Number: 209-915-1
• DSSTox Substance ID: DTXSID20975206
• Nikkaji Number: J37.642F
• Wikidata: Q82959719
• Mol file: 598-07-2.mol

Synonyms:3,7-Dimethyl-1,7-octadien-3-ol;598-07-2;3,7-dimethylocta-1,7-dien-3-ol;.alpha.-Linalool;EINECS 209-915-1;1,7-Octadien-3-ol, 3,7-dimethyl-;alpha-Linalool;SCHEMBL11133217;DTXSID20975206;AKOS025295517;3,7-Dimethyl-1,7-octadien-3-ol #

Chemical Property of 3,7-Dimethyl-1,7-octadien-3-ol

Chemical Property:

• Vapor Pressure: 0.0292mmHg at 25°C
• Boiling Point: 217°C at 760 mmHg
• Flash Point: 80.2°C
• PSA: 20.23000
• Density: 0.851g/cm³
• LogP: 2.66980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• 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)CCCC(C)(C=C)O

Technology Process of 3,7-Dimethyl-1,7-octadien-3-ol

There total 8 articles about 3,7-Dimethyl-1,7-octadien-3-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: 82.0%

6-chloro-7-methylene-3-methyl-1-octen-3-yl acetate (79421-89-9) → 3,7-dimethyl-1,7-octadien-3-ol (598-07-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 65 ℃; for 6h;

DOI:10.1007/BF00962389

Reference yield: 81.0%

6-methylhept-6-en-2-one (10408-15-8) + vinyl magnesium bromide (1826-67-1) → 3,7-dimethyl-1,7-octadien-3-ol (598-07-2)

Guidance literature:

In diethyl ether; for 2h; Ambient temperature;

DOI:10.1016/0022-328X(88)80209-2

Reference yield:

isoprene (78-79-5,9003-31-0) → 3,7-dimethyl-1,7-octadien-3-ol (598-07-2) + 2,6-Dimethyl-octa-1,7-dien-3-ol (22460-59-9,22626-39-7) + 2,7-Dimethyl-octa-1,7-dien-3-ol (60468-83-9,140237-86-1,140237-87-2) + 2,7-dimethyl-2,7-octadien-1-ol

Guidance literature:

With tris(triphenylphosphano)palladium; carbon dioxide; potassium hydrogencarbonate; triethylamine; In 1,4-dioxane; at 112 ℃; for 20h; under 30400 Torr; Product distribution; var. bases;

DOI:10.1246/bcsj.56.637

upstream raw materials:

3,7-Dimethyl-7-octen-1-in-3-ol

Vinyl bromide

6-methylhept-6-en-2-one

vinyl magnesium bromide

Downstream raw materials:

2,4-dimethyl-4-vinylcyclohexene

1,3-dimethyl-3-vinylcyclohex-1-ene

8β-fluoro-1,5-dimethylbicyclo<3.2.1>octane