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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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK0870
STBC7445V
10919LD
S29428
S29148

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Ann-Christin Klemenz et al.
Cells, 8(7) (2019-07-13)
Metabolic characterization of human adipose tissue-derived mesenchymal stromal/stem cells (ASCs) is of importance in stem cell research. The monitoring of the cell status often requires cell destruction. An analysis of volatile organic compounds (VOCs) in the headspace above cell cultures
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
Natalia Drabińska et al.
Molecules (Basel, Switzerland), 24(7) (2019-04-10)
The concentration of volatile organic compounds (VOCs) can inform about the metabolic condition of the body. In the small intestine of untreated persons with celiac disease (CD), chronic inflammation can occur, leading to nutritional deficiencies, and consequently to functional impairments

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