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Key Documents

8.20240

Sigma-Aldrich

tert-Butylbenzene

for synthesis

Synonym(s):

tert-Butylbenzene, 2-Methyl-2-phenylpropane

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About This Item

Linear Formula:
(CH3)3CC6H5
CAS Number:
98-06-6
Molecular Weight:
134.22
MDL number:
MFCD00008816
UNSPSC Code:
12352005
EC Index Number:
202-632-4

vapor pressure

1.33 hPa ( 13 °C)

Quality Level

200

assay

≥99.0% (GC)

form

liquid

autoignition temp.

445 °C

potency

3045 mg/kg LD50, oral (Rat)

expl. lim.

0.8-5.6 % (v/v)

mp

-58 °C

transition temp

flash point 44 °C

solubility

29.5 mg/L

density

0.87 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

YTZKOQUCBOVLHL-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.865 - 0.866
Identity (IR): passes test

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

116.6 °F - closed cup

flash_point_c

47 °C - closed cup

Certificates of Analysis (COA)

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