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1014-60-4,MFCD00008830
Catalog No.:AA0004C7
1014-60-4 | Benzene, 1,3-bis(1,1-dimethylethyl)-
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0004C7
Chemical Name:
Benzene, 1,3-bis(1,1-dimethylethyl)-
CAS Number:
1014-60-4
Molecular Formula:
C14H22
Molecular Weight:
190.3245
MDL Number:
MFCD00008830
IUPAC Name:
1,3-ditert-butylbenzene
InChI:
InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
InChI Key:
ILNDSSCEZZFNGE-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)C(C)(C)C)(C)C
NSC Number:
243654
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  

Synonyms
 
1,3-Di-tert-butylbenzene 
1014-60-4 
1,3-ditert-butylbenzene 
1,3-ditert-butyl-benzene 
1,3-Ditertiarybutylbenzene 
AC1L39BV 
1,3-di-tert-butyl-benzene 
ACMC-1BO58 
1,3-bis(tert-butyl)benzene 
CHEBI:88865 
CTK3J9808 
DTXSID80143904 
Benzene, 1,3-bis(1,1-dimethylethyl)- 
1,3-Di-tert-butylbenzene, 97% 
ZINC1764611 
1,3-bis(1,1-dimethylethyl)benzene 
ANW-14469 
Benzene,3-bis(1,1-dimethylethyl)- 
AKOS015889123 
FCH1118613 
MCULE-6456695887 
NSC-243654 
Benzene,1,3-bis(1,1-dimethylethyl)- 
Benzene, m-di-tert-butyl- 
AJ-31627 
AK135829 
CC-03195 
CJ-29821 
AX8054263 
TC-103214 
D2431 
FT-0708280 
ST50407130 
KS-00001269 
m-Di-tert-butylbenzene 
C-34756 
J-000394 
I01-16994 
InChI=1/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H 
CID136810 
1,3-Di-tert-butylbenzene, 99% 1g 
C(C)(C)(C)c1cccc(c1)C(C)(C)C 
1,3-di-t-butylbenzene 
ILNDSSCEZZFNGE-UHFFFAOYSA-N 
MFCD00008830 
1,3-Di-tert-butylbenzene, 99% 
NSC243654 
Literature

Title: Multiple headspace-solid-phase microextraction as a powerful tool for the quantitative determination of volatile radiolysis products in a multilayer food packaging material sterilized with γ-radiation.

Journal: Journal of chromatography. A 20120629

Title: Syntheses, properties, and photoreactions of the hybrid molecules consisting of a Co(II) mononuclear complex and porphyrins.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120206

Title: Oxidation state analysis of a four-component redox series [Os(pap)2(Q)]n involving two different non-innocent ligands on a redox-active transition metal.

Journal: Inorganic chemistry 20110801

Title: Root treatment with rhizobacteria antagonistic to Phytophthora blight affects anthracnose occurrence, ripening, and yield of pepper fruit in the plastic house and field.

Journal: Phytopathology 20110601

Title: A new family of heteroleptic ruthenium(II) polypyridyl complexes for sensitization of nanocrystalline TiO2 films.

Journal: Dalton transactions (Cambridge, England : 2003) 20110507

Title: Chiral iridium spiro aminophosphine complexes: asymmetric hydrogenation of simple ketones, structure, and plausible mechanism.

Journal: Chemistry, an Asian journal 20110301

Title: Synthesis and characterization of monoisomeric 1,8,15,22-substituted (A3B and A2B2) phthalocyanines and phthalocyanine-fullerene dyads.

Journal: The Journal of organic chemistry 20100806

Title: 5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: Modification of supramolecular binding motifs induced by substrate registry: formation of self-assembled macrocycles and chain-like patterns.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20091026

Title: Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis.

Journal: Dalton transactions (Cambridge, England : 2003) 20091007

Title: Internal architecture and adsorption sites of Violet Lander molecules assembled on native and KBr-passivated InSb(001) surfaces.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20090824

Title: A novel supramolecular system: combination of two switchable processes in a [2]rotaxane.

Journal: Chemistry, an Asian journal 20081201

Title: Synthesis and characterization of 3-cyano- and 3-nitroformazans, nitrogen-rich analogues of beta-diketimine ligands.

Journal: Inorganic chemistry 20080218

Title: Molecules with new topologies derived from hydrogen-bonded dimers of tetraurea calix[4]arenes.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

Title: Intramolecular excimer formation and delayed fluorescence in sterically constrained pyrene dimers.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Calix[4]arene-linked bisporphyrin hosts for fullerenes: binding strength, solvation effects, and porphyrin-fullerene charge transfer bands.

Journal: Journal of the American Chemical Society 20061213

Title: Kinetics and mechanism of methane, methanol, and dimethyl ether C-H activation with electrophilic platinum complexes.

Journal: Journal of the American Chemical Society 20060215

Title: Preparation and properties of phosphaethynes bearing bulky aryl groups with electron-donating substituents at the para position.

Journal: The Journal of organic chemistry 20040723

Title: One-step synthesis and characterization of difunctionalized N-confused tetraphenylporphyrins.

Journal: The Journal of organic chemistry 20040709

Title: (2,7-Disubstituted-1,8-biphenylenedioxy)bis(dimethylaluminum) as bidentate organoaluminum Lewis acids: elucidation and synthetic Utility of the double electrophilic activation phenomenon.

Journal: Journal of the American Chemical Society 20040204

Title: Qualitative investigation on hydrothermal treatment of Hinoki (Chamaecyparis obtusa) bark for production of useful chemicals.

Journal: Journal of agricultural and food chemistry 20031231

Title: Solute-solvent interactions probed by intermolecular NOEs.

Journal: The Journal of organic chemistry 20030627

Title: 2-Aminopyrimidine directed self-assembly of zinc porphyrins containing bulky 3,5-di-tert-butylphenyl groups.

Journal: Journal of the American Chemical Society 20030409

Title: Structure-function relationship of amino acid-[2]rotaxanes.

Journal: The Journal of organic chemistry 20030404

Title: Acetylenic quinoxalinoporphyrazines as photosensitisers for photodynamic therapy.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20030303

Title: Linear trimer analogues of calixarene as chiral coordinating ligands: X-ray crystallographic and NMR spectroscopic characterization of chiral and achiral trisphenolates complexed to titanium(IV) and aluminum(III).

Journal: Inorganic chemistry 20020715

Title: trans-Bis[O-2,4-di-tert-butylphenyl (4-methoxyphenyl)dithiophosphonato-kappa(2)S,S']nickel(II).

Journal: Acta crystallographica. Section C, Crystal structure communications 20020701

Title: Synthesis of meso-substituted chlorins via tetrahydrobilene-a intermediates.

Journal: The Journal of organic chemistry 20011102

Title: Highly functionalized dimeric tetraethynylethenes and expanded radialenes: strong evidence for macrocyclic cross-conjugation.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20010803

Title: Analyses of volatile transformation products from additives in gamma-irradiated polyethylene packaging.

Journal: Food additives and contaminants 20010801

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