Bisabolol

Base Information

Chemical Name:Bisabolol
CAS No.:23178-88-3
Deprecated CAS:21090-60-8,25428-43-7,63601-23-0,67375-41-1,25428-43-7,63601-23-0,67375-41-1
Molecular Formula:C15H26O
Molecular Weight:222.371
Hs Code.:
European Community (EC) Number:246-973-7,208-205-9
UNII:105S6I733Z,36HQN158VC
DSSTox Substance ID:DTXSID5045964
Nikkaji Number:J144.007A
Wikipedia:Bisabolol
Wikidata:Q72443959
RXCUI:19461,1306126,1487162
Metabolomics Workbench ID:47258
ChEMBL ID:CHEMBL1171719
Mol file:23178-88-3.mol

Synonyms:(+)-4-epi-alpha-bisabolol;bisabolol;bisabolol, (+)-isomer;bisabolol, (-)-isomer;levomenol

Suppliers and Price of Bisabolol

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
(αR,1R)-α-Bisabolol
2.5mg
$ 320.00

American Custom Chemicals Corporation
(R)-6-METHYL-2-((R)-4-METHYL-CYCLOHEX-3-ENYL)-HEPT-5-EN-2-OL 95.00%
5MG
$ 496.08

Total 4 raw suppliers

Chemical Property of Bisabolol

Chemical Property:

Refractive Index:nD20 1.4919
Boiling Point:bp1.0 120-122°
PKA:15.04±0.29(Predicted)
PSA：20.23000
Density:d20 0.9213
LogP:4.23020
Storage Temp.:Amber Vial, Refrigerator
Solubility.:Chloroform (Slightly), Ethanol (Slightly)
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:222.198365449
Heavy Atom Count:16
Complexity:284

Purity/Quality:

≥95% ^*data from raw suppliers

(αR,1R)-α-Bisabolol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(CC1)C(C)(CCC=C(C)C)O
Isomeric SMILES:CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
Uses (αR,1R)-α-Bisabolol is a compound that has been observed in essential oils of plants including Harungana madagascariensis, a plant native to Nigeria, and Syzygium makul, a tree species belonging to family Myrtaceae.

Technology Process of Bisabolol

There total 67 articles about Bisabolol 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: 80.0%

: 926-56-7,54363-49-4
4-methyl-1,3-pentadiene

: 6090-09-1
(+-)-4-acetyl-1-methylcyclohexene

: 515-69-5,23089-26-1,23178-88-3,25428-43-7,72059-10-0,72691-24-8,76738-75-5,78148-59-1,123877-54-3,26560-22-5
bisabolol

Guidance literature:: With tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; electroreductive coupling;
DOI:10.1021/jo00287a001