beta-Cedrene

Base Information

Chemical Name:beta-Cedrene
CAS No.:546-28-1
Deprecated CAS:2258642-97-4
Molecular Formula:C15H24
Molecular Weight:204.356
Hs Code.:2902909090
European Community (EC) Number:208-898-8
UNII:6QL7ERD5Q1
DSSTox Substance ID:DTXSID40883435
Nikkaji Number:J17.152B
Wikidata:Q76416645
Mol file:546-28-1.mol

Synonyms:alpha-cedrene;beta-cedrene;cedrene;cedrone

Suppliers and Price of beta-Cedrene

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
(+)-β-Cedrene(major,contains(-)-cedrene)
50mg
$ 450.00

Sigma-Aldrich
(+)-β-Cedrene ≥95.0% (sum of enantiomers, GC)
100mg
$ 213.00

American Custom Chemicals Corporation
BETA-CEDRENE 95.00%
100MG
$ 949.59

Total 17 raw suppliers

Chemical Property of beta-Cedrene

Chemical Property:

Vapor Pressure:0.0171mmHg at 25°C
Refractive Index:n20/D 1.502
Boiling Point:263.1°Cat760mmHg
Flash Point:110°C
PSA：0.00000
Density:0.93g/cm³
LogP:4.41500
Storage Temp.:2-8°C
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:312

Purity/Quality:

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

(+)-β-Cedrene(major,contains(-)-cedrene) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2C13CCC(=C)C(C3)C2(C)C
Isomeric SMILES:C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C
Uses (+)-β-Cedrene has been observed in a Edgeworthia tomentosa (Thunb.) Nakai flower essential oil extract, which has shown to display anitmicrobial properties.

Technology Process of beta-Cedrene

There total 13 articles about beta-Cedrene 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:

: 372-97-4,13058-04-3,25744-33-6,27248-37-9,27248-38-0,40716-68-5
farnesyl pyrophosphate

: 546-28-1
β‐cedrene

: 77-53-2
(+)-cedrol

: 469-61-4
alpha-cedrene

: 19903-73-2
(-)-(3R,3aS,6S,7R,8aS)-isocedrol

Guidance literature:: With epicedrol synthase; In aq. buffer; at 30 ℃; for 1h; pH=8.5; Enzymatic reaction;
DOI:10.1016/j.tetlet.2016.01.109

Reference yield:

: (3aS,8S,9aS)-3,9,9-Trimethyl-1,2,3,8,9,9a-hexahydro-3a,8-methano-cyclopentacyclooctene

: 546-28-1
β‐cedrene

Guidance literature:: Multi-step reaction with 5 steps

1: mClPBA / CH₂Cl₂ / 0 °C

2: 1.) H₂; 2.) MeO₂CNSO₂NEt₃ / 1.) Pd/C / 1.) MeOH; 2.) benzene, 60 deg C

3: 78 percent / Tl(ONO₂)3 / Ambient temperature

4: 1.) H₃O(+); 2.) NaBH₄ / ethanol / 0 °C

5: 1.) o-NO₂C₆H₄SeCn, Bu₃P; 2.) H₂O₂ / 1.) THF; 2.) THF, rt

With sodium tetrahydroborate; ortho-nitrophenyl selenocyanate; Burgess Reagent; tributylphosphine; oxonium; hydrogen; dihydrogen peroxide; 3-chloro-benzenecarboperoxoic acid; thallium(III) nitrate; palladium on activated charcoal; In ethanol; dichloromethane;
DOI:10.1016/S0040-4039(97)10221-0

Reference yield:

: C₁₅H₂₂O

: 546-28-1
β‐cedrene

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) H₂; 2.) MeO₂CNSO₂NEt₃ / 1.) Pd/C / 1.) MeOH; 2.) benzene, 60 deg C

2: 78 percent / Tl(ONO₂)3 / Ambient temperature

3: 1.) H₃O(+); 2.) NaBH₄ / ethanol / 0 °C

4: 1.) o-NO₂C₆H₄SeCn, Bu₃P; 2.) H₂O₂ / 1.) THF; 2.) THF, rt

With sodium tetrahydroborate; ortho-nitrophenyl selenocyanate; Burgess Reagent; tributylphosphine; oxonium; hydrogen; dihydrogen peroxide; thallium(III) nitrate; palladium on activated charcoal; In ethanol;
DOI:10.1016/S0040-4039(97)10221-0