ChemicalBook--->CAS DataBase List--->2049-95-8

2049-95-8

2049-95-8 Structure

2049-95-8 Structure
IdentificationMore
[Name]

tert-Amylbenzene
[CAS]

2049-95-8
[Synonyms]

(1,1-DIMETHYLPROPYL)BENZENE
2-METHYL-2-PHENYLBUTANE
2-phenyl-2-methylbutane
T-AMYLBENZENE
TERT-AMYLBENZENE
TERT-PENTYLBENZENE
T-PENTYLBENZENE
(1,1-dimethylpropyl)-benzen
Benzene, (1,1-dimethylpropyl)-
Benzene, tert-pentyl-
benzene,(1,1-dimethylpropyl)-
tert-pentyl-benzen
TERT-AMYLBENZENE/TERT-PENTYLBENZENE
Tert-amylbenzene ,99.50%
[EINECS(EC#)]

218-076-0
[Molecular Formula]

C11H16
[MDL Number]

MFCD00015187
[Molecular Weight]

148.24
[MOL File]

2049-95-8.mol
Chemical PropertiesBack Directory
[Melting point ]

-44.72°C (estimate)
[Boiling point ]

188-191°C
[density ]

0,87 g/cm3
[refractive index ]

1.4960
[Fp ]

65°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[color ]

Colorless to Light yellow
[Water Solubility ]

10.5mg/L(25 ºC)
[Detection Methods]

GC,NMR
[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]

2049-95-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H226-H317-H411
[Precautionary statements ]

P210-P273-P280-P302+P352
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

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

WGK 3
[RTECS ]

DA6720000
[TSCA ]

Yes
[REACH Registrations]

Active
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Benzene-->2-Methyl-2-butanol-->1,4-Di-tert-pentylbenzene-->1,1-Dimethyl-2-propenylbenzene-->Methylcyclobutane.-->NEOPENTYL ALCOHOL-->Isopentyl ether-->2-Chloro-2-methylbutane-->3-Methyl-1-butene-->Ethylene-->2-Methyl-1-butene
[Preparation Products]

1-bromo-4-(tert-pentyl)benzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(1,1-Dimethylpropyl)benzene(2049-95-8).msds
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Amylbenzene(2049-95-8)MS
tert-Amylbenzene(2049-95-8)1HNMR
tert-Amylbenzene(2049-95-8)13CNMR
tert-Amylbenzene(2049-95-8)IR1
tert-Amylbenzene(2049-95-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

tert-Pentylbenzene, 97%(2049-95-8)
[TCI AMERICA]

tert-Amylbenzene,>97.0%(GC)(2049-95-8)
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