Isocaryophyllene

Base Information Edit

Chemical Name:Isocaryophyllene
CAS No.:118-65-0
Deprecated CAS:1407-53-0,8007-38-3,1233519-47-5
Molecular Formula:C15H24
Molecular Weight:204.356
Hs Code.:2902199090
European Community (EC) Number:201-746-1,204-267-6
UNII:NRY8I0KNIR
ChEMBL ID:CHEMBL448700
DSSTox Substance ID:DTXSID10881246
Metabolomics Workbench ID:28271
Nikkaji Number:J5.303A,J2.883.493D
RXCUI:1368148
Wikidata:Q27106968
Wikipedia:Caryophyllene
Mol file:118-65-0.mol

Synonyms:(E)-beta-caryophyllene;beta-caryophyllene;caryophyllene;caryophyllene, (R*,4Z,9S*)-(+-)-isomer;caryophyllene, (R-(R*,4E,9S))-isomer;caryophyllene, (R-(R*,4Z,9S*))-isomer;caryophyllene, (S-(R*,4E,9S*))-isomer;caryophyllene, (S-(R*,4Z,9S*))-isomer;isocaryophyllene;trans-caryophyllene

Suppliers and Price of Isocaryophyllene

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

Usbiological
Isocaryophyllene
100mg
$ 460.00

TRC
Isocaryophyllene(80%)
100mg
$ 185.00

Medical Isotopes, Inc.
Isocaryophyllene
500 mg
$ 650.00

American Custom Chemicals Corporation
(-)-ISOCARYOPHYLLENE 95.00%
5MG
$ 495.77

Total 33 raw suppliers

Chemical Property of Isocaryophyllene Edit

Chemical Property:

Vapor Pressure:0.0128mmHg at 25°C
Melting Point:25°C
Refractive Index:n20/D 1.496
Boiling Point:268.4°Cat760mmHg
Flash Point:104.9°C
PSA：0.00000
Density:0.89g/cm³
LogP:4.72520
Storage Temp.:2-8°C
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:293

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isocaryophyllene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Biological Agents -> Plant Oils and Extracts
Canonical SMILES:CC1=CCCC(=C)C2CC(C2CC1)(C)C
Isomeric SMILES:C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
Uses In perfumery. Isocaryophyllene is an Z- isomer of β-Caryophyllene (C184725). β-Caryophyllene is one of the chemical compounds that contributes to the spiciness of black pepper. β-Caryophyllene was shown to selectively bind to the cannabinoid receptor type-2 (CB2) and to exert significant cannabimimetic antiinflammatory effects in mice.

Technology Process of Isocaryophyllene

There total 13 articles about Isocaryophyllene 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: 90.0%