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MilliporeSigma

B90602

tert-Butylbenzene

99%

Synonym(s):

2-Methyl-2-phenylpropane

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5 ML

$47.80

250 ML

$49.90

1 L

$146.00

$47.80


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About This Item

Linear Formula:
C6H5C(CH3)3
CAS Number:
Molecular Weight:
134.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-632-4
Beilstein/REAXYS Number:
1421537
MDL number:
Assay:
99%
Form:
liquid

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InChI key

YTZKOQUCBOVLHL-UHFFFAOYSA-N

InChI

1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

SMILES string

CC(C)(C)c1ccccc1

vapor density

3.16 (169 °C, vs air)

vapor pressure

4.79 mmHg ( 37.7 °C)

assay

99%

form

liquid

autoignition temp.

842 °F

Quality Level

bp

169 °C (lit.)

mp

−58 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

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1 of 4

This Item
82119113166241369
assay

99%

assay

≥99.0% (GC)

assay

99%

assay

98%

Quality Level

200

Quality Level

100

Quality Level

200

Quality Level

100

density

0.867 g/mL at 25 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

density

0.853 g/mL at 25 °C (lit.)

density

1.002 g/mL at 25 °C (lit.)

refractive index

n20/D 1.492 (lit.)

refractive index

n20/D 1.491 (lit.)

refractive index

n20/D 1.486 (lit.)

refractive index

n20/D 1.517 (lit.)

form

liquid

form

liquid

form

-

form

liquid

bp

169 °C (lit.)

bp

159 °C (lit.)

bp

170 °C/736 mmHg (lit.)

bp

92-94 °C/12 mmHg (lit.)

General description

Tert-Butylbenzene, also known as 2-methyl-2-phenylpropane, is an aromatic hydrocarbon that serves as an organic building block in the synthesis of various tert-butyl derivatives. Due to its non-polar nature, it is an effective solvent in industrial processes, particularly in the formulation of coatings and adhesives.[1]

Application

  • Gas separation applications: tert-Butylbenzene is utilized in the synthesis of aromatic polyimide membranes with covalent crosslinking, enhancing their performance in gas separation processes, which is vital for industrial applications and environmental management (Lozano et al., 2022).
  • Enhancement of Raman scattering: The compound serves as a substrate for metal nanoparticles in nanogap-enhanced Raman scattering studies, which is crucial for analytical chemistry, providing sensitive detection methods for various chemicals (Chen et al., 2021).
  • Hyperpolarized (13)C probes: It is also pivotal in the rational design of hyperpolarized (13)C probes, enabling significant advancements in magnetic resonance imaging (MRI) techniques, which improve diagnostic imaging capabilities (Sando et al., 2018).

pictograms

FlameExclamation mark

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

116.6 °F - closed cup

flash_point_c

47 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Liquid density measurements of cumene, tert-butylbenzene, and hexadecane over wide ranges of temperature and pressure
Khasanshin et al.
Fluid Phase Equilibria, 463, 121-127 (2018)
The Orientation of Isopropyl and tert-Butyl Groups in Benzene Dialkylation
Hennion et al.
The Journal of Organic Chemistry, 17, 1102-1106 (1952)
De-tert-butylation of substituted arenes
Saleh et al.
Tetrahedron, 54, 14157-14177 (1998)
C B Castells et al.
Analytical chemistry, 71(15), 3013-3021 (1999-08-18)
In this work we explore the use of microparticulate porous zirconia coated with cellulose tris(3,5-dimethylphenyl-carbamate) (CDMPC) as a support for separation of chiral compounds by HPLC. The surface of zirconia, previously sintered but not rehydroxylated, provides a stable surface for
Salvatore Fanali et al.
Journal of separation science, 29(10), 1423-1431 (2006-08-10)
Several racemic acidic compounds of pharmaceutical and environmental interest have been separated into their enantiomers by nano-liquid chromatography (nano-LC) employing a tert-butylbenzoylated tartardiamide chiral stationary phase (CHI-TBB). CHI-TBB was packed into a fused silica capillary of 100 microm id and

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    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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