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

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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]

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

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Related Functional Groups

Arenes

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[127107-31-7]
1-Phenyl-1H-pyrazol-4-amine hydrochloride
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone

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

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