tert-Amylbenzene Chemical Properties

Melting point:

-44.72°C (estimate)

Boiling point:

188-191°C

Density 

0,87 g/cm³

refractive index 

1.4960

Flash point:

65°C

storage temp. 

Sealed in dry,Room Temperature

form 

liquid

color 

Colorless to Light yellow

Water Solubility 

10.5mg/L(25 ºC)

BRN 

2039053

Henry's Law Constant

5.4×10^-4 mol/(m³Pa) at 25℃, Hine and Mookerjee (1975)

Major Application

battery manufacturing

InChI

InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

InChIKey

QHTJSSMHBLGUHV-UHFFFAOYSA-N

SMILES

C1(C(C)(C)CC)=CC=CC=C1

CAS DataBase Reference

2049-95-8(CAS DataBase Reference)

NIST Chemistry Reference

2-Phenyl-2-methyl butane(2049-95-8)

EPA Substance Registry System

tert-Amylbenzene (2049-95-8)

Safety Information

Safety Statements 

23-24/25

RIDADR 

UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all

WGK Germany 

WGK 3

RTECS 

DA6720000

TSCA 

TSCA listed

HazardClass 

3

PackingGroup 

III

HS Code 

29029090

Storage Class

3 - Flammable liquids

Hazard Classifications

Aquatic Chronic 2
Flam. Liq. 3
Skin Sens. 1

Toxicity

LDLo orl-rat: 10 mL/kg AMIHAB 19,403,59

MSDS

• Language:English Provider:(1,1-Dimethylpropyl)benzene
• Language:English Provider:ALFA

tert-Amylbenzene Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. t-Amyl benzene finds application as additive in lithium ion batteries and its addition in grade would be good expansion of our LIB portfolio.

Application

tert-Amylbenzene is a crucial intermediate in the production of hydrogen peroxide (H2O2), it serves as a building block in the synthesis of amorolfine, a potent antifungal API, and when added into rechargeable lithium-ion batteries, it prevents overheating, fire and explosion.

Safety Profile

Mildly toxic by ingestion. Whenheated to decomposition it yields irritating fumes andsmoke.

tert-Amylbenzene (2049-95-8)Related Product Information

• Cyclopentanecarbaldehyde
• tert-Butylbenzene
• 4-tert-Amylphenol
• Xylene
• 4-tert-Butylbenzaldehyde
• Methyl 4-tert-butylbenzoate
• 4-Pentylphenol
• Phenylpentane
• Pivalic acid
• PHENYL VALERATE
• TERT-AMYL METHYL ETHER
• 1,12-Dodecanedioyl dihydrazide
• Lauroyl chloride
• LAURIC ACID SODIUM SALT
• tert-Butanol
• Benzene
• PHENYL RESIN
• Nitrobenzene