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450502

Sigma-Aldrich

4,4′-Isopropylidenebis(2,6-dimethylphenol)

98%

Synonym(s):

Bisphenol A, tetramethyl

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About This Item

Linear Formula:
(CH3)2C[C6H2(CH3)2OH]2
CAS Number:
5613-46-7
Molecular Weight:
284.39
EC Number:
227-033-5
MDL number:
MFCD00068238
UNSPSC Code:
12162002
PubChem Substance ID:
24868251
NACRES:
NA.23

assay

98%

mp

162-165 °C (lit.)

SMILES string

Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2

InChI

1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3

InChI key

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Joel Deye et al.
Bioorganic & medicinal chemistry, 17(3), 1353-1360 (2009-01-02)
A public compound library with 260,000 compounds was screened virtually by computational docking for novel inhibitors of the transmembrane enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA). Docking was performed with the program GOLD in conjunction with a high resolution X-ray crystal
Christopher Elam et al.
European journal of medicinal chemistry, 46(5), 1512-1523 (2011-03-01)
Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target for

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