1,4-Cineole

Base Information

• Chemical Name: 1,4-Cineole
• CAS No.: 470-67-7
• Deprecated CAS: 21499-90-1
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• European Community (EC) Number: 207-428-9
• UNII: B55JTU839B
• DSSTox Substance ID: DTXSID3047396
• Nikkaji Number: J5.939K,J566.835B
• Wikidata: Q12470088
• Metabolomics Workbench ID: 47189
• ChEMBL ID: CHEMBL2288022
• Mol file: 470-67-7.mol

Synonyms:1,4-cineole

Chemical Property of 1,4-Cineole

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 1.69mmHg at 25°C
• Melting Point: -46 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 173.499 °C at 760 mmHg
• Flash Point: 50.656 °C
• PSA: 9.23000
• Density: 0.977 g/cm³
• LogP: 2.74410
• Water Solubility.: Slightly soluble in water
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

99.9% ^*data from raw suppliers

1,4-Cineole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CC(C)C12CCC(O1)(CC2)C

Technology Process of 1,4-Cineole

There total 21 articles about 1,4-Cineole 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:

1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) → 1,4-cineole (470-67-7) + carvacrol (499-75-2) + 4-methylisopropylbenzene (99-87-6) + thymol (89-83-8)

Guidance literature:

With air; at 120 ℃; Thermolysis;

DOI:10.1021/es9810641

Reference yield:

linalool acetate (115-95-7) → 1,4-cineole (470-67-7) + 2-vinyl-2,6,6-trimethyl-3,4,5,6-tetrahydro-2H-pyran (7392-19-0,13226-34-1,13837-56-4) + myrcenol (543-39-5) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + 2,6-dimethyl-5,7-octadien-2-ol (5986-38-9) + crithmene (99-85-4)

Guidance literature:

In water; Product distribution; Rate constant; Heating; hydrodistillation; effect of pH;

Reference yield:

1,8-Cineole (470-82-6) → Terpinolene (586-62-9,69073-38-7) + crithmene (99-85-4) + 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptane (470-67-7)

Guidance literature:

With Amberlyst 15; at 85 ℃; for 2h; Inert atmosphere;

upstream raw materials:

formic acid

terpineol

terpin-4-ol

cis-1,8-terpine

Downstream raw materials:

8-hydroxy-1,4-cineole

2(R)-endo-hydroxy-1,4-cineole

2(S)-endo-hydroxy-1,4-cineole

2(R)-exo-hydroxy-1,4-cineole

Refernces

• 1、 Mcgraw, Gerald W.,Hemingway, Richard W.,Ingram Jr., Leonard L.,Canady, Catherine S.,Mcgraw, William B.. "Thermal degradation of terpenes: Camphene, Δ3-carene, limonene, and α-terpinene". . p. 4029 - 4033. Retrieved 2007/10/03.
• 2、 Carr, Graham,Dean, Cristopher,Whittaker, David. "Terpenoid Ether Formation in Superacids". . p. 351 - 354. Retrieved 2007/10/02.