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272051

Sigma-Aldrich

1,3-Di-tert-butylbenzene

97%

Synonym(s):

1,3-Bis(1,1-dimethylethyl)benzene, 1,3-Ditert-butylbenzene, 4,6-Di(tert-butyl)benzene, m-Di-tert-butylbenzene

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About This Item

Linear Formula:
C6H4[C(CH3)3]2
CAS Number:
1014-60-4
Molecular Weight:
190.32
MDL number:
MFCD00008830
UNSPSC Code:
12352100
PubChem Substance ID:
24856451
NACRES:
NA.22

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.488 (lit.)

bp

106-107 °C/18 mmHg (lit.)

mp

10-11 °C (lit.)

density

0.859 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1cccc(c1)C(C)(C)C

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

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General description

The solute-solvent nuclear overhauser effects (NOEs) of 1,3-di-tert-butylbenzene was studied in solvents composed of tetramethylsilane, perfluoro-tert-butyl alcohol and carbon tetrachloride.

wgk_germany

WGK 3

flash_point_f

closed cup

flash_point_c

closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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J T Gerig
The Journal of organic chemistry, 68(13), 5244-5248 (2003-06-21)
Nuclear Overhauser effects arising from the interactions of spins of solvent molecules with spins of a solute should reveal the "exposure" of solute spins to collisions with solvent. Such intermolecular NOEs could, therefore, provide information regarding conformation or structure of
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