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273023

Sigma-Aldrich

3,5-Di-tert-butylbenzoic acid

99%

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About This Item

Linear Formula:
[(CH3)3C]2C6H3CO2H
CAS Number:
16225-26-6
Molecular Weight:
234.33
EC Number:
240-350-3
MDL number:
MFCD00082727
UNSPSC Code:
12352100
PubChem Substance ID:
24856526
NACRES:
NA.22

Assay

99%

form

solid

mp

173-175 °C (lit.)

SMILES string

CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(O)=O

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)

InChI key

NCTSLPBQVXUAHR-UHFFFAOYSA-N

Related Categories

Application

3,5-Di-tert-butylbenzoic acid was used in the synthesis of 5,5-di-tert-butylanilinium sulphate.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBG9615
STBG9614
STBG8604
STBF5546V
S27994

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THE SYNTHESIS AND SUBSTITUTION REACTIONS OF 3, 5-DI-tert-BUTYLPHENOL.
Canadian Journal of Chemistry, 41(7), 1653-1656 (1963)

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