Chrysanthemol

Base Information

• Chemical Name: Chrysanthemol
• CAS No.: 5617-92-5
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• Hs Code.: 29061900
• European Community (EC) Number: 227-045-0
• DSSTox Substance ID: DTXSID10971555
• Nikkaji Number: J13.716B
• Wikidata: Q27155163
• Metabolomics Workbench ID: 123298
• ChEMBL ID: CHEMBL1318346
• Mol file: 5617-92-5.mol

Synonyms:chrysanthemol

Chemical Property of Chrysanthemol

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 66-69 °C0.07 mm Hg(lit.)
• PKA: 15.10±0.10(Predicted)
• Flash Point: 185 °F
• PSA: 20.23000
• Density: 0.888 g/mL at 25 °C(lit.)
• LogP: 2.21710
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

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

Chrysanthemyl alcohol, mixture of cis and trans 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC1C(C1(C)C)CO)C
• Uses: Chrysanthemyl alcohol was used in the determination of position of double bonds in various terepenes and branched chain compounds.

Technology Process of Chrysanthemol

There total 20 articles about Chrysanthemol 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: 98.0%

ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate (97-41-6) → chrysanthemol (5617-92-5)

Guidance literature:

With C₃₉H₅₃ClN₂P₂Ru; potassium methanolate; hydrogen; In tetrahydrofuran; at 20 ℃; under 3800.26 Torr; chemoselective reaction; Glovebox; Autoclave;

Reference yield: 94.0%

C23H30OSi → chrysanthemol (5617-92-5)

Guidance literature:

With 18-crown-6 ether; In ethanol; water; at 45 ℃; for 3h; Reagent/catalyst; Solvent; Temperature; Green chemistry;

DOI:10.1002/cctc.201901232

Reference yield: 15.0%

5-methyl-2(1'-methyl-1'-phenylthioethyl)hept-4-en-1-ol (79399-35-2) → (+/-)-lavandulol (58461-27-1,21090-68-6) + chrysanthemol (5617-92-5)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; for 24h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4020(01)92018-6

upstream raw materials:

ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate

5-methyl-2(1'-methyl-1'-phenylthioethyl)hept-4-en-1-ol

chrysanthemumic acid methyl ester

cis and trans-2,2-dimethyl-3-bromo-5-(1'-methyl-1'-phenylthioethyl)tetrahydropyran

Downstream raw materials:

1,1-Dimethyl-2-<4-methoxy-benzoyloxymethyl>-3-<2-methyl-propenyl>-cyclopropan

2,5,5-Trimethyl-heptan

6-(1,1-dimethyl-allyl)-4-methyl-2-phenyl-3,6-dihydro-2H-[1,2]oxazine

3-(1,1-Dimethyl-allyl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylic acid

Refernces

• 1、 Roth, Heinz D.,Herbertz, Torsten,Sauers, Ronald R.,Weng, Hengxin. "Intramolecular nucleophilic capture of radical cations by tethered hydroxy functions". . p. 6471 - 6489. Retrieved 2006.
• 2、 -. "Diaminodiphosphine tetradentate ligand and ruthenium complex thereof, and preparation methods and applications of ligand and complex". Paragraph 0316-0319. . Retrieved 2019/11/04.
• 3、 Akporji, Nnamdi,Lieberman, Josh,Maser, Michael,Yoshimura, Masahiko,Boskovic, Zarko,Lipshutz, Bruce H.. "Selective Deprotection of the Diphenylmethylsilyl (DPMS) Hydroxyl Protecting Group under Environmentally Responsible, Aqueous Conditions". . p. 5743 - 5747. Retrieved 2019/11/11.