Geranyllinalool

Base Information

• Chemical Name: Geranyllinalool
• CAS No.: 68931-30-6
• Deprecated CAS: 2211-30-5,3790-75-8
• Molecular Formula: C20H34 O
• Molecular Weight: 290.489
• European Community (EC) Number: 214-201-8,416-070-4,685-595-0
• UNII: VV41XXJ67L
• DSSTox Substance ID: DTXSID70883645
• Nikkaji Number: J13.158J,J354.877E
• Wikidata: Q27144589
• Mol file: 68931-30-6.mol

Synonyms:3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol;geranyl linalool

Chemical Property of Geranyllinalool

Chemical Property:

• Vapor Pressure: 1.09E-07mmHg at 25°C
• Refractive Index: n20/D 1.490
• Boiling Point: 250 °C
• PKA: 14.44±0.29(Predicted)
• Flash Point: 160 °C
• PSA: 20.23000
• Density: 0.885 g/mL at 20 °C(lit.)
• LogP: 6.12280
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 290.260965704
• Heavy Atom Count: 21
• Complexity: 394

Purity/Quality:

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

Geranyl-linalool (mixture of isomers) >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C

Technology Process of Geranyllinalool

There total 13 articles about Geranyllinalool 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:

3,7,11,15-tetramethyl-hexadeca-6,10,14-trien-1-yn-3-ol (2387-69-1,27873-19-4) → 1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl- (68931-30-6)

Guidance literature:

With palladium on activated charcoal; ethanol; partielle Hydrierung;

Reference yield:

6,10,14-trimethyl-5,9,13-pentadecatrien-2-one (762-29-8) → 1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl- (68931-30-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-pentylate; diethyl ether / -15 °C

2: ethanol; platinum / partielle Hydrierung

With diethyl ether; ethanol; potassium 2-methylbutan-2-olate; platinum;

Reference yield:

(+/-)-nerolidol (7212-44-4) → 1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl- (68931-30-6)

Guidance literature:

Multi-step reaction with 3 steps

1: Al(OiPr)3

2: (i) KOH, (ii) /BRN= 906677/

3: H₂, quinoline / Lindlar catalyst / cyclohexane

With quinoline; hydrogen; aluminum isopropoxide; Lindlar's catalyst; In cyclohexane;

upstream raw materials:

3,7,11,15-tetramethyl-hexadeca-6,10,14-trien-1-yn-3-ol

(10E)-13-bromo-2,6,10-trimethyltrideca-2,6,10-triene

methyl vinyl ketone

ethanol

Downstream raw materials:

2E,6E,10E-geranylgeranyl bromide

geranylgeranylacetone

α tocotrienol

2-Methyl-3-<3,7,11,15,19-pentamethyl-eicosapentaen-(2,6,10,14,18)-yl-(1)>-naphthochinon-(1,4)