beta-Cadinene

Base Information Edit

Chemical Name:beta-Cadinene
CAS No.:523-47-7
Molecular Formula:C15H24
Molecular Weight:204.356
Hs Code.:2902199090
NSC Number:46152
UNII:Z07LA0GY4J
DSSTox Substance ID:DTXSID0024713
Nikkaji Number:J6.632J
Wikidata:Q27103285
Metabolomics Workbench ID:28313
ChEMBL ID:CHEMBL3120653
Mol file:523-47-7.mol

Synonyms:BETA-CADINENE;Cadina-3,9-diene;Cadine-3,9-diene;523-47-7;NCI-C56008;b-cadinene;beta-Cadinene, (-)-;.beta.-Cadinene;(-)-beta-Cadinene;CCRIS 5894;HSDB 4355;(-)-.beta.-Cadinene;NSC 46152;UNII-Z07LA0GY4J;.beta.-Cadinene, (-)-;Z07LA0GY4J;CHEBI:27723;NSC46152;NSC-46152;Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-;Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-;Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-;(+)-beta-cadinene;CADINENE, BETA-;C09625;BETA-CADINENE [HSDB];.BETA.-CADINENE [MI];CHEMBL3120653;DTXSID0024713;LS-178;LMPR0103330003;Q27103285;BETA-CADINENE (SEE ALSO: CADINENE (CAS 29350-73-0));Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-;(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene;1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-;Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-

Suppliers and Price of beta-Cadinene

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

American Custom Chemicals Corporation
BETA-CADINENE 95.00%
5MG
$ 504.94

Total 3 raw suppliers

Chemical Property of beta-Cadinene Edit

Chemical Property:

Vapor Pressure:0.0107mmHg at 25°C
Refractive Index:1.5059
Boiling Point:271.5°Cat760mmHg
Flash Point:106.5°C
PSA：0.00000
Density:0.876g/cm³
LogP:4.58110
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:293

Purity/Quality:

98%min ^*data from raw suppliers

BETA-CADINENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Biological Agents -> Wood Dusts & Extracts
Canonical SMILES:CC1=CCC2C(C1)C(CC=C2C)C(C)C
Isomeric SMILES:CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C

Technology Process of beta-Cadinene

There total 6 articles about beta-Cadinene 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: 39.0%

: 122305-06-0,122332-54-1
7-chloro-10-isopropyl-3,7-dimethylbicyclo<4.4.0>dec-3-ene

: 523-47-7,5951-61-1,6013-64-5,16509-53-8,122332-53-0,132296-09-4,5743-03-3
rac β-muurolene

: 5957-56-2,7089-89-6,29336-47-8,82166-09-4,122332-52-9
rac γ₂-muurolene

Guidance literature:: With potassium tert-butylate; In tert-butyl alcohol; for 50h; Heating;
DOI:10.1016/S0040-4020(01)89792-1

Reference yield:

: 122305-05-9
trans-3-(4-chloro-2-methyl-2(E)-butenyl)-4-isopropyl-1-methylcyclohex-1-ene

: 523-47-7,5951-61-1,6013-64-5,16509-53-8,122332-53-0,132296-09-4,5743-03-3
rac β-muurolene

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / ZnCl₂*Et₂O / CH₂Cl₂ / 25 h / -78 °C

2: 44 percent / potassium tert-butoxide / 2-methyl-propan-2-ol / 50 h / Heating

With potassium tert-butylate; zinc chloride diethyl ether; In dichloromethane; tert-butyl alcohol;
DOI:10.1016/S0040-4020(01)89792-1