1,4-Cineole - CAS 470-67-7
Catalog: |
BB026215 |
Product Name: |
1,4-Cineole |
CAS: |
470-67-7 |
Synonyms: |
Isocineole |
IUPAC Name: | 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane |
Description: | 1,4-Cineole is a natural oxygenated monoterpene found in eucalyptus oil. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC(C)C12CCC(O1)(CC2)C |
InChI: | InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3 |
InChI Key: | RFFOTVCVTJUTAD-UHFFFAOYSA-N |
Boiling Point: | 173.5±8.0 °C at 760 mmHg |
Melting Point: | −46 °C |
Flash Point: | 118 °F |
Purity: | 90% |
Density: | 1.0±0.1 g/cm3 |
Solubility: | Slightly sol in water; sol in benzene, Petroleum ether; sol in all proportion in ether, ALC |
Appearance: | Colourless mobile liquid; camphor like aroma |
MDL: | MFCD00209502 |
LogP: | 2.74410 |
Refractive Index: | 1.445 |
Vapor Pressure: | 1.93 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27986436 | 20170201 | Interaction of plant essential oil terpenoids with the southern cattle tick tyramine receptor: A potential biopesticide target | Chemico-biological interactions |
23449869 | 20131201 | Small molecules inhibit growth, viability and ergosterol biosynthesis in Candida albicans | SpringerPlus |
22461383 | 20120801 | Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor | Pest management science |
21707257 | 20120101 | Seasonal variation in essential oil yield and composition from Thymus vulgaris L. during different growth stages in the south of Jordan | Natural product research |
22143541 | 20110825 | Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais | Molecules (Basel, Switzerland) |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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