3,7-Dimethyloct-2-en-1-ol

Base Information

• Chemical Name: 3,7-Dimethyloct-2-en-1-ol
• CAS No.: 40607-48-5
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2905290000
• European Community (EC) Number: 254-999-5
• Nikkaji Number: J294.715C,J1.479.976A
• Mol file: 40607-48-5.mol

Synonyms:3,7-Dimethyloct-2-en-1-ol;3,7-Dimethyl-2-octen-1-ol;6,7-Dihydrogeraniol;2-Octen-1-ol, 3,7-dimethyl-;40607-48-5;EINECS 254-999-5;1461-04-7;SCHEMBL163911;JNAWJUOCXKIHHG-JXMROGBWSA-N;(2E)-3,7-dimethyloct-2-en-1-ol;(E)-3,7-Dimethyl-2-octene-1-ol;2-Octen-1-ol, 3,7-dimethyl-, E;BS-51370;LS-98114;F76237;EN300-21740409;Z2583205813

Chemical Property of 3,7-Dimethyloct-2-en-1-ol

Chemical Property:

• Vapor Pressure: 0.032mmHg at 25°C
• Boiling Point: 215.5°Cat760mmHg
• PKA: 14.72±0.10(Predicted)
• Flash Point: 90.5°C
• PSA: 20.23000
• Density: 0.845g/cm³
• LogP: 2.75130
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

3,7-Dimethyl-2-octen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(=CCO)C
• Isomeric SMILES: CC(C)CCC/C(=C/CO)/C
• Uses: 3,7-Dimethyl-2-octen-1-ol, can be used as a fragrance, combined with other materials in deodorants.

Technology Process of 3,7-Dimethyloct-2-en-1-ol

There total 8 articles about 3,7-Dimethyloct-2-en-1-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:

(E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → Citronellol (106-22-9) + 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + 3,7-dimethyl-2-octen-1-ol (40607-48-5) + geraniol (624-15-7)

Guidance literature:

With hydrogen; Ru-carbon; In isopropyl alcohol; at 59.85 ℃; Further Variations:; Catalysts; Product distribution;

DOI:10.1006/jcat.2001.3394

Reference yield:

ethyl 3,7-dimethyl-2-octenoate (266302-61-8) → 3,7-dimethyl-2-octen-1-ol (40607-48-5)

Guidance literature:

ethyl 3,7-dimethyl-2-octenoate; With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1h;

With hydrogenchloride; water;

Reference yield:

6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) → 3,7-dimethyl-2-octen-1-ol (40607-48-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-BaSO₄

2: (i) NaH, (ii) /BRN= 635835/, (iii) LiAlH₄

With hydrogen; palladium on barium sulfate;

DOI:10.3891/acta.chem.scand.29b-1015

upstream raw materials:

3,7-dimethyl-oct-1-en-3-ol

acetic acid

diethoxyphosphoryl-acetic acid ethyl ester

6-methylheptan-2-one

Downstream raw materials:

tetrahydrogeraniol

3,7-dimethyl-2-octenal

6-methylheptan-2-one