1,4-Diisopropylbenzene - CAS 100-18-5
Catalog: |
BB000119 |
Product Name: |
1,4-Diisopropylbenzene |
CAS: |
100-18-5 |
Synonyms: |
1,4-di(propan-2-yl)benzene |
IUPAC Name: | 1,4-di(propan-2-yl)benzene |
Description: | 1,4-Diisopropylbenzene has been found in an animutagenic fraction from dried persimmon leaves. |
Molecular Weight: | 162.27 |
Molecular Formula: | C12H18 |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)C(C)C |
InChI: | InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 |
InChI Key: | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
Boiling Point: | 210 °C |
Melting Point: | -17.1 °C |
Density: | 0.857 g/cm3 |
Appearance: | Clear colourless liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008892 |
LogP: | 3.93340 |
Vapor Pressure: | 0.24 [mmHg] |
GHS Hazard Statement: | H315 (75.86%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P308+P313, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015197156-A1 | Materials for organic electroluminescent devices | 20140625 |
WO-2015192939-A1 | Materials for organic electroluminescent devices | 20140618 |
WO-2015192941-A1 | Compositions for electronic devices | 20140618 |
WO-2015188199-A1 | Carbohydrate-mediated purification of petrochemicals | 20140606 |
WO-2015169962-A1 | Benzimidazole derivatives | 20140509 |
PMID | Publication Date | Title | Journal |
22621426 | 20120604 | Optical spectroscopy study of organic-phase lanthanide complexes in the TALSPEAK separations process | Inorganic chemistry |
22429846 | 20120601 | In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests | Chemosphere |
22340127 | 20120215 | Solvent extraction of rare-earth ions based on functionalized ionic liquids | Talanta |
21735029 | 20110821 | Extraction separation of rare-earth ions via competitive ligand complexations between aqueous and ionic-liquid phases | Dalton transactions (Cambridge, England : 2003) |
20468025 | 20100719 | Electrochemical functionalization of 1,3-diisopropylbenzene | ChemSusChem |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.140850574 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.140850574 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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