Hydroxycitronellol

Base Information

Chemical Name:Hydroxycitronellol
CAS No.:107-74-4
Deprecated CAS:1321-91-1
Molecular Formula:C₁₀H₂₂O₂
Molecular Weight:174.283
Hs Code.:
European Community (EC) Number:203-517-1
NSC Number:406140,67886
UNII:R0B4U2I48W
DSSTox Substance ID:DTXSID6044513
Nikkaji Number:J26.180G
Wikidata:Q27287607
RXCUI:1313707
Metabolomics Workbench ID:44199
ChEMBL ID:CHEMBL3187980
Mol file:107-74-4.mol

Synonyms:3,7-dimethyl-1,7-octanediol;3,7-dimethyloctane-1,7-diol;hydroxycitronellol;hydroxydihydrocitronellol

Suppliers and Price of Hydroxycitronellol

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

American Custom Chemicals Corporation
3,7-DIMETHYL-1,7-OCTANEDIOL 95.00%
250MG
$ 669.74

AHH
Hydroxycitronellol 98%
250g
$ 445.00

Total 27 raw suppliers

Chemical Property of Hydroxycitronellol

Chemical Property:

Vapor Pressure:0.00139mmHg at 25°C
Melting Point:47.36°C (estimate)
Refractive Index:1.455
Boiling Point:252.5°Cat760mmHg
PKA:15.14±0.10(Predicted)
Flash Point:108.5°C
PSA：40.46000
Density:0.918g/cm³
LogP:1.94610
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:174.161979940
Heavy Atom Count:12
Complexity:110

Purity/Quality:

98% ^*data from raw suppliers

3,7-DIMETHYL-1,7-OCTANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Biological Agents -> Plant Oils and Extracts
Canonical SMILES:CC(CCCC(C)(C)O)CCO
Description Hydroxyeitronellol has an odor reminiscent of rose and grape hyacinth. May be prepared by hydrogenation (under pressure in presence of Raney Ni) of 3,7-dimethyl-7-hydroxy-octan-l-al; also in good yields by catalytic hydrogenation (using Raney Ni) of 1.2-epoxy-3,7-dimethyl-octan-7-ol.

Technology Process of Hydroxycitronellol

There total 22 articles about Hydroxycitronellol 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: 99.0%

: 107-75-5
7-hydroxy-3,7-dimethyl-octanal

: 98206-63-4,122612-23-1,107-74-4
7-hydroxycitronellol

Guidance literature:: With trimethylamine-N-oxide; (1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-one) irontricarbonyl complex3; potassium formate; In ethanol; at 45 - 60 ℃; for 24h; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.tet.2021.132187

Reference yield: 98.0%

: Acetic acid 7-acetoxy-1,1,5-trimethyl-heptyl ester

: 98206-63-4,122612-23-1,107-74-4
7-hydroxycitronellol

: 8-hydroxy-2,6-dimethyloct-2-yl acetate

Guidance literature:: With magnesium methanolate; In methanol; for 10h; Yields of byproduct given; Ambient temperature;
DOI:10.1021/jo961257b

Reference yield: 75.0%

: 106-22-9
Citronellol

: 98206-63-4,122612-23-1,107-74-4
7-hydroxycitronellol

Guidance literature:: With iron(III)-acetylacetonate; methyl 4-nitrobenzenesulfonate; phenylsilane; sodium hydrogencarbonate; In methanol; at 0 - 20 ℃; for 12h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1002/anie.202015740