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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

Quality Level

100

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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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