Tri-tert-butylmethanol - CAS 41902-42-5

Catalog:	BB024991
Product Name:	Tri-tert-butylmethanol
CAS:	41902-42-5
Synonyms:	3-tert-butyl-2,2,4,4-tetramethyl-3-pentanol; 3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol

Technical Data

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Computed Properties

IUPAC Name:	3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol
Description:	Tri-tert-butylmethanol (CAS# 41902-42-5 ) is a useful research chemical.
Molecular Weight:	200.36
Molecular Formula:	C13H28O
Canonical SMILES:	CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O
InChI:	InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3
InChI Key:	LIUBOLYWYDGCSJ-UHFFFAOYSA-N
Boiling Point:	204.4 °C at 760 mmHg
Density:	0.831 g/cm³
LogP:	3.85580

Publication Number	Title	Priority Date
DE-102010052529-A1	Process for producing a catalyst for olefin polymerization and olefin polymer	20091215
DE-112010004812-T5	Production process of an olefin polymerization catalyst and olefin polymer	20091215
JP-2011144369-A	Zinc-containing compound, polymerization catalyst component, polymerization catalyst, and polymer production method	20091215
WO-2011074688-A1	Production process of olefin polymerization catalyst and olefin polymer	20091215
TW-200938610-A	Novel organic electroluminescent compounds and organic electroluminescent device using the same	20080314

PMID	Publication Date	Title	Journal
20380421	20100401	Enhancing shielding of triplet energy transfer to poly(p-phenylene)s from phosphor dopant by addition of branched alcohol for highly efficient electrophosphorescence	ACS applied materials & interfaces

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Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.214015512
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.214015512
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6