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tert-Butylbenzene

Product Name
tert-Butylbenzene
CAS No.
98-06-6
Chemical Name
tert-Butylbenzene
Synonyms
T-BUTYLBENZENE;Phenyltrim;-Trimethyltoluene;tert-butyl-benzen;tert.-Butylbenzol;TERT-BUTYLBENZENE;AKOS BBS-00004358;PSEUDOBUTYLBENZENE;Reaxys ID: 4964438;tert-Butylbenzeneb
CBNumber
CB6161293
Molecular Formula
C10H14
Formula Weight
134.22
MOL File
98-06-6.mol
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tert-Butylbenzene Property

Melting point:
-58 °C
Boiling point:
169 °C(lit.)
Density 
0.867 g/mL at 25 °C(lit.)
vapor density 
3.16 (169 °C, vs air)
vapor pressure 
4.79 mm Hg ( 37.7 °C)
refractive index 
n20/D 1.492(lit.)
Flash point:
94 °F
storage temp. 
Flammables area
solubility 
29.5mg/l
form 
Liquid
pka
>14 (Schwarzenbach et al., 1993)
color 
Clear colorless to yellow
explosive limit
0.8-5.6%(V)
Water Solubility 
0.03 g/L (20 ºC)
Merck 
14,1551
BRN 
1421537
Henry's Law Constant
(x 10-2 atm?m3/mol): 1.17 at 25 °C (Hine and Mookerjee, 1975)
Dielectric constant
2.4（20℃）
Stability:
Stable. Flammable. Incompatible with oxidizing agents, combustible material.
CAS DataBase Reference
98-06-6(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, tert-butyl-(98-06-6)
EPA Substance Registry System
tert-Butylbenzene (98-06-6)
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Safety

Hazard Codes 
Xn,F,Xi,N
Risk Statements 
10-20-38-51/53-36
Safety Statements 
23-24/25-61-26
RIDADR 
UN 2709 3/PG 3
WGK Germany 
1
RTECS 
CY9120000
Autoignition Temperature
842 °F
Hazard Note 
Irritant/Flammable
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29029080
Hazardous Substances Data
98-06-6(Hazardous Substances Data)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
B90602
Product name
tert-Butylbenzene
Purity
99%
Packaging
1l
Price
$133
Updated
2024/03/01
TCI Chemical
Product number
B0715
Product name
tert-Butylbenzene
Purity
>98.0%(GC)
Packaging
25mL
Price
$23
Updated
2024/03/01
TCI Chemical
Product number
B0715
Product name
tert-Butylbenzene
Purity
>98.0%(GC)
Packaging
500mL
Price
$61
Updated
2024/03/01
Alfa Aesar
Product number
A12378
Product name
tert-Butylbenzene
Purity
99%
Packaging
250ml
Price
$45
Updated
2024/03/01
Alfa Aesar
Product number
A12378
Product name
tert-Butylbenzene
Purity
99%
Packaging
1000ml
Price
$114
Updated
2024/03/01
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tert-Butylbenzene Chemical Properties,Usage,Production

Chemical Properties

colourless liquid with an aromatic odour

Uses

tert-Butylbenzene is an useful intermediate for manufacturing agrochemicals and pharmaceuticals. tert-Butyl Toluene is used as a solvent for resins.

Uses

Organic synthesis, polymerization solvent, polymer linking agent.

Synthesis Reference(s)

The Journal of Organic Chemistry, 33, p. 923, 1968 DOI: 10.1021/jo01266a122
Tetrahedron Letters, 25, p. 4851, 1984 DOI: 10.1016/S0040-4039(01)91241-9

Hazard

Toxic by ingestion.

Safety Profile

Mildly toxic by ingestion. Flammable liquid when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical, water spray, fog, mist. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes

Environmental Fate

Photolytic. At 25 °C, a rate constant of 4.58 x 10-12 cm3/molecule?sec was reported for the gasphase reaction of tert-butylbenzene with OH radicals (Ohta and Ohyama, 1985).
Chemical/Physical. tert-Butylbenzene will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1995).

Purification Methods

Wash it with cold conc H2SO4 until a fresh portion of acid is no longer coloured, then with 10% aqueous NaOH (care-effervescence), followed by distilled water until neutral. Dry it (CaSO4), and distil it in a glass helices-packed column, taking the middle fraction. [Beilstein 5 IV 1045.]

tert-Butylbenzene Preparation Products And Raw materials

Raw materials

2-Chloro-2-methylpropane Isobutylene tert-Butanol 1-Chlorobutane Dodecylbenzene Aluminum chloride Benzene Hydrochloric acid Aluminium chloride hexahydrate

Preparation Products

tert-Butylhydroquinone 4-T-BUTYL PROPIOPHONE 1-Bromo-4-tert-butylbenzene Lily aldehyde Musk xylene FENPROPIMORPH Propargite 4-tert-Butylbenzyl chloride 4-tert-Butylbenzylamine BUCLIZINE cyclamen aldehyde
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View Lastest Price from tert-Butylbenzene manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
tert-Butylbenzene 98-06-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-28
Hebei Yanxi Chemical Co., Ltd.
Product
tert-Butylbenzeneb 98-06-6
Price
US $0.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20 tons
Release date
2023-11-22
Shaanxi Dideu Medichem Co. Ltd
Product
tert-Butylbenzene 98-06-6
Price
US $0.10/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000 tons
Release date
2020-01-06

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