(-)-delta-Selinene

Base Information

• Chemical Name: (-)-delta-Selinene
• CAS No.: 28624-23-9
• Molecular Formula: C15H24
• Molecular Weight: 204.356
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID501317168
• Metabolomics Workbench ID: 28290
• Nikkaji Number: J38.001F
• Wikidata: Q27121589
• Mol file: 28624-23-9.mol

Synonyms:(-)-delta-selinene;(8aS)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene 10alpha-eudesma-4,6-diene;10alpha-eudesma-4,6-diene;CHEBI:49280;DTXSID501317168;LMPR0103190012;Q27121589;(8aS)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene;(8aS)-4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

Chemical Property of (-)-delta-Selinene

Chemical Property:

• Vapor Pressure: 0.00559mmHg at 25°C
• Boiling Point: 282.9°C at 760 mmHg
• Flash Point: 112.1°C
• PSA: 0.00000
• Density: 0.9g/cm³
• LogP: 4.86930
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 317

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(CCC2(CCC1)C)C(C)C
• Isomeric SMILES: CC1=C2C=C(CC[C@@]2(CCC1)C)C(C)C

Technology Process of (-)-delta-Selinene

There total 12 articles about (-)-delta-Selinene 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: 23.0%

germacrene D (105453-16-5) → 2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-naphthalene (28624-23-9,28624-28-4,62358-43-4,473-14-3) + (±)-δ-cadinene (483-76-1,13061-82-0,16729-01-4,20085-20-5,60305-17-1,73365-79-4) + epizonarene (5975-30-4,35938-51-3,36437-95-3,41702-63-0,41702-64-1,41929-05-9,51819-91-1,74036-35-4,76898-68-5,149115-45-7) + zonarene

Guidance literature:

With boron trifluoride dimethyl etherate; In diethyl ether; Dimethyl ether; at 0 ℃; Further byproducts given;

DOI:10.1016/S0031-9422(00)00266-1

Reference yield: 2.5%

germacrene D (105453-16-5) → 2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-naphthalene (28624-23-9,28624-28-4,62358-43-4,473-14-3) + α-calacorene (77129-50-1) + (±)-δ-cadinene (483-76-1,13061-82-0,16729-01-4,20085-20-5,60305-17-1,73365-79-4) + epizonarene (5975-30-4,35938-51-3,36437-95-3,41702-63-0,41702-64-1,41929-05-9,51819-91-1,74036-35-4,76898-68-5,149115-45-7)

Guidance literature:

With boron trifluoride dimethyl etherate; In dichloromethane; at 0 ℃; Further byproducts given;

DOI:10.1016/S0031-9422(00)00266-1

Reference yield:

(+)-rosifoliol (63891-61-2) → [S(-)]-2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)naphthalene (28624-23-9)

Guidance literature:

With toluene-4-sulfonic acid; calcium chloride; In benzene;

DOI:10.1071/CH9782527

upstream raw materials:

germacrene D

isogermacrene D

acetic anhydride

(2E,6E)-10,11-dihydrofarnesol

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