6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-

Base Information

Chemical Name:6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-
CAS No.:67601-05-2
Molecular Formula:C12H22O2
Molecular Weight:198.305
Hs Code.:
European Community (EC) Number:266-767-0
UNII:78RZL4H51H
DSSTox Substance ID:DTXSID101015025
Nikkaji Number:J67.960G
Wikidata:Q27266694
Mol file:67601-05-2.mol

Synonyms:6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-;67601-05-2;Citronellol acetate, (S)-;[(3S)-3,7-dimethyloct-6-enyl] acetate;(S)-citronellol acetate;(-)-3,7-Dimethyloct-6-enyl acetate;UNII-78RZL4H51H;78RZL4H51H;EINECS 266-767-0;6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-;6-Octen-1-ol, 3,7-dimethyl-, acetate, (S)-;(s)-citronellyl acetate;(?)-Citronellol acetate;SCHEMBL20912959;(3S)-CITRONELLYL ACETATE;DTXSID101015025;(-)-(S)-CITRONELLOL ACETATE;(S)-(-)-CITRONELLYL ACETATE;FEMA NO. 2311, (-)-;acetic acid 3,7-dimethyl-oct-6-en-1-yl ester;Q27266694

Suppliers and Price of 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-

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 8 raw suppliers

Chemical Property of 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-

Chemical Property:

Vapor Pressure:1.97Pa at 20℃
Boiling Point:258.5±19.0 °C(Predicted)
PSA：26.30000
Density:0.885±0.06 g/cm3(Predicted)
LogP:3.32210
Water Solubility.:15.9mg/L at 25℃
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:198.161979940
Heavy Atom Count:14
Complexity:191

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCC=C(C)C)CCOC(=O)C
Isomeric SMILES:C[C@@H](CCC=C(C)C)CCOC(=O)C

Technology Process of 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-

There total 5 articles about 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)- 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: 94.0%

: 7540-51-4
(S)-3,7-dimethyl-6-octen-1-ol

: 108-24-7
acetic anhydride

: 67601-05-2,67650-82-2
(3S)-3,7-dimethyl-6-octen-1-yl acetate

Guidance literature:: With pyridine; dmap; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1002/chem.202001356

Reference yield:

: 106-22-9
Citronellol

: 108-24-7
acetic anhydride

: 20425-54-1,67650-82-2
(R)-1-citronellyl acetate

: 67601-05-2,67650-82-2
(3S)-3,7-dimethyl-6-octen-1-yl acetate

Guidance literature:: With TEA; In dichloromethane; for 4h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;
DOI:10.1021/jo00085a037

Reference yield:

: 108-05-4,9003-20-7
vinyl acetate

: 106-22-9
Citronellol

: 7540-51-4
(S)-3,7-dimethyl-6-octen-1-ol

: 1117-61-9
(3R)-citronellol

: 20425-54-1,67650-82-2
(R)-1-citronellyl acetate

: 67601-05-2,67650-82-2
(3S)-3,7-dimethyl-6-octen-1-yl acetate

Guidance literature:: With porcine pancreatic lipase; In hexane; for 24h; Title compound not separated from byproducts;
DOI:10.1016/S0957-4166(02)00365-8