Thujyl alcohol

Base Information Edit

Chemical Name:Thujyl alcohol
CAS No.:21653-20-3
Molecular Formula:C10H18 O
Molecular Weight:154.252
Hs Code.:
European Community (EC) Number:244-504-0
UNII:193IW486Z8
ChEMBL ID:CHEMBL3277900
DSSTox Substance ID:DTXSID80885170
Nikkaji Number:J15.965D
Wikidata:Q27252064
Mol file:21653-20-3.mol

Synonyms:3-thujol;3-thujol, (1R-(alpha,3alpha,4alpha5alpha))-isomer

Suppliers and Price of Thujyl alcohol

Supply Marketing:Edit

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 4 raw suppliers

Chemical Property of Thujyl alcohol Edit

Chemical Property:

Vapor Pressure:0.047mmHg at 25°C
Boiling Point:209.129°C at 760 mmHg
Flash Point:83.71°C
PSA：20.23000
Density:1.019g/cm³
LogP:2.04940
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.135765193
Heavy Atom Count:11
Complexity:176

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C2CC2(CC1O)C(C)C
Isomeric SMILES:C[C@@H]1[C@H]2C[C@]2(C[C@@H]1O)C(C)C

Technology Process of Thujyl alcohol

There total 9 articles about Thujyl alcohol 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: 60.0%

: 1125-12-8,546-80-5
(-)-α-thujone

: 21653-20-3
(-)-3-thujol

Guidance literature:: With silver tetrafluoroborate; diphenylsilane; C₃₃H₄₃ClN₃ORh; In dichloromethane; at 40 ℃; for 24h; Reagent/catalyst; diastereoselective reaction; Glovebox; Sealed tube;
DOI:10.1021/acs.organomet.9b00526

Reference yield:

: 59503-88-7,59532-36-4,98252-58-5
(+/-)-3-Isothujanol-p-nitrobenzoat

: 513-23-5,3284-85-3,7712-79-0,20126-29-8,21653-18-9,21653-19-0,21653-20-3,31187-53-8,33766-31-3,33766-34-6,35732-34-4,35732-36-6,35732-37-7,75715-80-9
(+/-)-3-Isothujanol

Guidance literature:: With methanol; potassium hydroxide;
DOI:10.1021/jm00230a015

Reference yield:

: 7788-93-4,10224-28-9,10224-30-3,10422-05-6,20126-31-2,62139-22-4,98472-95-8
(-)-Isothujanol-p-toluolsulfonat

: 513-23-5,3284-85-3,7712-79-0,20126-29-8,21653-18-9,21653-19-0,21653-20-3,31187-53-8,33766-31-3,33766-34-6,35732-34-4,35732-36-6,35732-37-7,75715-80-9
(+/-)-3-Isothujanol

Guidance literature:: Multi-step reaction with 2 steps

1: (i) Ac₂O, NaOAc, AcOH, (ii) LiAlH₄, (iii) /BRN= 473192/, Py

2: KOH, MeOH

With methanol; potassium hydroxide;
DOI:10.1021/jm00230a015