1,4-Cineole - CAS 470-67-7
Catalog:
BB026215
Product Name:
1,4-Cineole
CAS:
470-67-7
Synonyms:
Isocineole; p-Menthane, 1,4-epoxy-; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane; 1,4-Epoxy-p-menthane
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BB026215
100 g
$299
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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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