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1012-72-2

1012-72-2 Structure

1012-72-2 Structure
IdentificationMore
[Name]

1,4-Di-tert-butylbenzene
[CAS]

1012-72-2
[Synonyms]

1,4-bis(1,1-dimethylethyl)-benzene
1,4-DI-TERT-BUTYLBENZENE
P-DI-TERT-BUTYL BENZENE
1,4-bis(1,1-dimethylethyl)-benzen
1,4-tert-dibutylbenzene
Benzene, p-di-tert-butyl-
benzene,1,4-di-tert-butyl-
bis(1,1-dimethylethyl)-benzen
bis(1,1-dimethylethyl)benzene
p-di-tert-butyl-benzen
Dibutylbenzene
1,4-DitertCbutylbenzene
p-Bis(tert-butyl)benzene
[EINECS(EC#)]

213-790-9
[Molecular Formula]

C14H22
[MDL Number]

MFCD00008836
[Molecular Weight]

190.32
[MOL File]

1012-72-2.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals or crystalline powder
[Melting point ]

76-78 °C(lit.)
[Boiling point ]

236 °C(lit.)
[density ]

0.985
[refractive index ]

1.4955 (estimate)
[Fp ]

236°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

crystalline
[color ]

white
[Water Solubility ]

Insoluble in water. Soluble in ethanol, benzene, carbon tetrachloride.
[BRN ]

1617000
[InChI]

1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
[InChIKey]

OOWNNCMFKFBNOF-UHFFFAOYSA-N
[SMILES]

CC(C)(C)c1ccc(cc1)C(C)(C)C
[CAS DataBase Reference]

1012-72-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,4-bis(1,1-dimethylethyl)-(1012-72-2)
[EPA Substance Registry System]

1012-72-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

CY8444000
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Bis(1,1-dimethylethyl)-benzene(1012-72-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystals or crystalline powder
[Uses]

1,4-di-tert-butylbenzene (DTBB) is crystallized from several organic solvents to study the effect of solvents and crystallization conditions on its habit.
[Uses]

1,4-di-tert-butylbenzene (DTBB) is used as a crystallized form from several organic solvents to study the effect of solvents and crystallization conditions on its habit. It is also used as a solvent and an intermediate in the manufacture of other organic compounds for the finished products of such as curing agents, engineering plastics and cross-linking agents.
[Purification Methods]

Crystallise it from Et2O or EtOH and dry it under vacuum over P2O5 at 55o. [Tanner et al. J Org Chem 52 2142 1987, Beilstein 5 II 344.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Di-tert-butylbenzene(1012-72-2)MS
1,4-Di-tert-butylbenzene(1012-72-2)1HNMR
1,4-Di-tert-butylbenzene(1012-72-2)13CNMR
1,4-Di-tert-butylbenzene(1012-72-2)IR1
1,4-Di-tert-butylbenzene(1012-72-2)IR2
1,4-Di-tert-butylbenzene(1012-72-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Di-tert-butylbenzene, 99%(1012-72-2)
[Alfa Aesar]

1,4-Di-tert-butylbenzene, 98%(1012-72-2)
[Sigma Aldrich]

1012-72-2(sigmaaldrich)
[TCI AMERICA]

1,4-Di-tert-butylbenzene,>99.0%(GC)(1012-72-2)
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