ChemicalBook--->CAS DataBase List--->16225-26-6

16225-26-6

16225-26-6 Structure

16225-26-6 Structure
IdentificationMore
[Name]

3,5-DI-TERT-BUTYLBENZOIC ACID
[CAS]

16225-26-6
[Synonyms]

3,5-DI-TERT-BUTYLBENZOIC ACID
BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-
RARECHEM AL BE 0560
Dibutylbenzoicacid
3,5-bis(tert-butyl)benzoic acid
[EINECS(EC#)]

240-350-3
[Molecular Formula]

C15H22O2
[MDL Number]

MFCD00082727
[Molecular Weight]

234.33
[MOL File]

16225-26-6.mol
Chemical PropertiesBack Directory
[Melting point ]

173-175 °C(lit.)
[Boiling point ]

361.43°C (estimate)
[density ]

0.9725 (estimate)
[refractive index ]

1.5283 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder or Crystalline Powder
[pka]

4.40±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

Insoluble in water.
[BRN ]

981248
[InChI]

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
[InChIKey]

NCTSLPBQVXUAHR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
[CAS DataBase Reference]

16225-26-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

3,5-Di-tert-butylbenzoic acid is used in the synthesis of 5,5-di-tert-butylanilinium sulfate.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)MS
3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)1HNMR
3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)13CNMR
3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)IR1
3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)IR2
3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Di-tert-butylbenzoic acid, 99%(16225-26-6)
[Sigma Aldrich]

16225-26-6(sigmaaldrich)
[TCI AMERICA]

3,5-Di-tert-butylbenzoic Acid,>98.0%(LC)(16225-26-6)
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