3,7,11-Trimethyldodecan-3-ol

Base Information

• Chemical Name: 3,7,11-Trimethyldodecan-3-ol
• CAS No.: 7278-65-1
• Molecular Formula: C₁₅H₃₂O
• Molecular Weight: 228.418
• European Community (EC) Number: 230-694-2,664-939-3
• DSSTox Substance ID: DTXSID10864034
• Nikkaji Number: J38.006G
• Mol file: 7278-65-1.mol

Synonyms:3,7,11-Trimethyldodecan-3-ol;Hexahydronerolidol;3-Dodecanol, 3,7,11-trimethyl-;7278-65-1;EINECS 230-694-2;Nerolidol, hexahydro-;3,7,11-TRIMETHYL-3-DODECANOL;SCHEMBL3770127;DTXSID10864034;3,7,11-Trimethyl-3-dodecanol #;AKOS024335694

Chemical Property of 3,7,11-Trimethyldodecan-3-ol

Chemical Property:

• Vapor Pressure: 0.000943mmHg at 25°C
• Boiling Point: 269.8°Cat760mmHg
• PKA: 15.32±0.29(Predicted)
• Flash Point: 116.8°C
• PSA: 20.23000
• Density: 0.832g/cm³
• LogP: 4.78010
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 228.245315640
• Heavy Atom Count: 16
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CCCC(C)CCCC(C)C)O

Technology Process of 3,7,11-Trimethyldodecan-3-ol

There total 12 articles about 3,7,11-Trimethyldodecan-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: 75.0%

(+/-)-nerolidol (7212-44-4) → 3,7,11-trimethyldodecanol-3 (7278-65-1,83377-04-2)

Guidance literature:

With sodium tetrahydroborate; ruthenium(III) trichloride hydrate; In N,N-dimethyl acetamide; water; at 0 ℃; for 1h; chemoselective reaction;

DOI:10.1016/j.tetlet.2013.01.083

Reference yield:

(S)-(+)-nerolidol (1119-38-6) → 3,7,11-trimethyldodecanol-3 (7278-65-1,83377-04-2) + 2,6,10-trimethyldodecane (3891-98-3)

Guidance literature:

With platinum(IV) oxide; acetic acid ester; at 60 ℃; dextrorotatory form; Hydrogenation;

Reference yield:

3,7,11-trimethyl-6,10-dodecadien-1-yn-3-ol (2387-68-0,54325-12-1) → 3,7,11-trimethyldodecanol-3 (7278-65-1,83377-04-2) + (+/-)-nerolidol (7212-44-4)

Guidance literature:

With hydrogen; ShPAK-0.5 modified by Zn(OAc)2 + NH₃; In isopropyl alcohol; at 60 ℃; for 4h; under 5148.56 - 7355.08 Torr;

DOI:10.1023/A:1015536927055

upstream raw materials:

3,7,11-trimethyl-dodec-1-en-3-ol

3,7,11-trimethyldodecyn-3-ol

(S)-(+)-nerolidol

methanol

Refernces

• 1、 Tolkacheva,Kislyi,Taits,Semenov. "Hydrogenation on granular palladium-containing catalysts: I. Hydrogenation of tertiary acetylene alcohols". . p. 150 - 152. Retrieved 2007/10/03.