CID 16213731

Base Information

• Chemical Name: CID 16213731
• CAS No.: 489-40-7
• Molecular Formula: C15H24
• Molecular Weight: 204.356
• European Community (EC) Number: 207-695-1
• Metabolomics Workbench ID: 61781
• Mol file: 489-40-7.mol

Synonyms:(-)-alpha-Gurjunene;489-40-7;(1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene;SPCXZDDGSGTVAW-VXYFJCLZSA-N;MFCD00043331;(2S,4R,7R,8R)-3,3,7,11-Tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene;(-)-alpha-Gurjunene, analytical reference material;(-)-alpha-Gurjunene, >=97.0% (sum of enantiomers, GC);(1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene

Chemical Property of CID 16213731

Chemical Property:

• Refractive Index: n20/D 1.501
• Boiling Point: 263.9°Cat760mmHg
• Flash Point: 101.3°C
• PSA: 0.00000
• Density: 0.94g/cm³
• LogP: 4.41500
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

α-Gurjunene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCC2C(C2(C)C)C3=C(CCC13)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C(CCC13)C
• Uses: α-Gurjunene is an essential oil extract of Salvia tomentosa Miller, researched for Antimicrobial and antioxidant activities.

Technology Process of CID 16213731

There total 1 articles about CID 16213731 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:

→ (-)-α-gurjunene (489-40-7)

Guidance literature:

DOI:10.1016/S0040-4039(01)85265-5

Reference yield:

(-)-α-gurjunene (489-40-7) + diphenyldisulfane (882-33-7) → 7-isopropyl-1,4-dimethyl-azulene (489-84-9)

Guidance literature:

at 250 ℃;

Reference yield:

(-)-α-gurjunene (489-40-7) + bromine (7726-95-6) → 7-isopropyl-1,4-dimethyl-azulene (489-84-9)

Guidance literature:

Downstream raw materials:

7-isopropyl-1,4-dimethyl-azulene

cyclocolorenone

Epicyclocolorenon