4-Thujanol, cis-(+/-)-

Base Information

Chemical Name:4-Thujanol, cis-(+/-)-
CAS No.:15537-55-0
Molecular Formula:C₁₀H₁₈O
Molecular Weight:154.252
Hs Code.:
European Community (EC) Number:239-584-9
UNII:84AJP53J3O
DSSTox Substance ID:DTXSID40881214
Nikkaji Number:J312.491F
Wikidata:Q27269512
Mol file:15537-55-0.mol

Synonyms:15537-55-0;4-Thujanol, cis-(+/-)-;cis-(+/-)-4-Thujanol;cis-4-thujanol;trans-4-thujanol;UNII-84AJP53J3O;cis-Sabinene hydrate;84AJP53J3O;EINECS 239-584-9;4-THUJANOL, STEREOISOMER;DTXSID40881214;cis-Thujane-4-ol;(1alpha,2beta,5alpha)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol;(1R,2S,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;rel-(1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol;(1alpha,2beta,5alpha)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol;BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1.ALPHA.,2.BETA.,5.ALPHA.)-;4-THUJANOL, CIS-;SCHEMBL1786724;DTXCID401022495;FEMA NO. 3239, CIS-;(+/-)-CIS-SABINENE HYDRATE;NS00085200;Q27269512;BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1R,2S,5S)-REL-

Suppliers and Price of 4-Thujanol, cis-(+/-)-

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

TRC
cis-4-Thujanol
10mg
$ 1200.00

TRC
cis-4-Thujanol
1mg
$ 150.00

Total 11 raw suppliers

Chemical Property of 4-Thujanol, cis-(+/-)-

Chemical Property:

Melting Point:36.5-37.2 °C
Boiling Point:201.7°Cat760mmHg
PKA:15.22±0.40(Predicted)
Flash Point:80.1°C
PSA：20.23000
Density:1.03g/cm³
LogP:2.19350
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.135765193
Heavy Atom Count:11
Complexity:187

Purity/Quality:

99% ^*data from raw suppliers

cis-4-Thujanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C12CCC(C1C2)(C)O
Isomeric SMILES:CC(C)[C@@]12CC[C@]([C@@H]1C2)(C)O
Uses cis-4-Thujanol is a related compound of (+)-Sabinene (S080750), a component of juniper berry oil having antibacterial and antifungal activity.

Technology Process of 4-Thujanol, cis-(+/-)-

There total 21 articles about 4-Thujanol, cis-(+/-)- 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: 64.0%

: 75-11-6
diiodomethane

: 1619-28-9
3-isopropyl-cyclopent-2-enone

: 917-54-4
methyllithium

: 546-79-2,3484-42-2,5157-77-7,7712-82-5,15537-55-0,15826-82-1,15826-83-2,17699-16-0,58117-61-6,117305-49-4
1-isopropyl-4-methylbicyclo[3.1.0]hexan-4-ol

Guidance literature:: 3-isopropyl-cyclopent-2-enone; methyllithium; In diethyl ether; at -78 - 0 ℃;

diiodomethane; With iodine; copper; zinc; In diethyl ether; for 2h; Further stages.; Heating;
DOI:10.1021/ol016086y