GERI-BP002-A
Product Information
Molecular Formula
C23H32O2
Molecular Weight
340.50
Description
It is originally isolated from Aspergillus fumigatus F93. GERI-BP002-A inhibits ACTC with an IC50 of 50 μmol/L.
Synonyms
Antioxidant 2246; Bisalkofen BP; 6,6'-Methylenebis(2-(tert-butyl)-4-methylphenol); Antioxidant BKF; Chemanox 21; Methylenebis; Plastanox 2246; NSC 7781; BRN 2062676
IUPAC Name
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O
InChI
InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
InChI Key
KGRVJHAUYBGFFP-UHFFFAOYSA-N
Boiling Point
428.56°C at 760 mmHg
Melting Point
253-261°C
Flash Point
235.4 °F
Purity
>99.0% by GC
Density
1.04 g/cm3
Solubility
Soluble in DMSO, Ethanol
Appearance
Pale Yellow Powder
Application
Used as an antioxidant and stabilizer for polymers (ABS, polypropylene, polyacetal, rubber, latex, and adhesives).
Storage
Store at RT.
Refractive Index
n20/D 1.542 (lit.)
Stability
Stable at normal tempertures and pressures.
LogP
Log Kow = 6.25
Safety Information
Hazards
H319:
Causes serious eye irritation.
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
XLogP3
7.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
340.240230259 g/mol
Monoisotopic Mass
340.240230259 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
390
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022036178-A | Performance evaluation method and manufacturing control method of foamable laminate | 2021-12-28 |
| CN-114133589-A | Novel butyronitrile butadiene styrene composite latex dipping slurry and preparation method thereof | 2021-12-27 |
| CN-114031906-A | Rat bite prevention PBAT/starch composite film and preparation method thereof | 2021-12-22 |
| CN-114031907-A | Puncture-resistant PBAT composite film and preparation method thereof | 2021-12-22 |
| CN-114133515-A | Super-hydrophobic super-oleophylic polyurethane sponge polymer material and preparation method thereof | 2021-12-21 |
| JP-2022031355-A | Pest control method | 2021-12-15 |
| JP-2022040133-A | A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. | 2021-12-15 |
| CN-114133664-A | Superfine slag micro powder filled polypropylene-based automobile special material and preparation method thereof | 2021-12-07 |
| CN-114085437-A | Mold moistening glue with durable mold moistening capability for semiconductor packaging mold | 2021-12-06 |
| CN-113980389-A | Antistatic low-odor scratch-resistant composite interior trim material and preparation method thereof | 2021-12-03 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 33352258 | 2021-03-01 | In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase | Toxicology in vitro : an international journal published in association with BIBRA |
| 23062825 | 2012-11-15 | Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine | Bioorganic & medicinal chemistry |
| 22796571 | 2012-08-03 | Bis(2-hydroxy-3-tert-butyl-5-methyl-phenyl)-methane (bis-phenol) is a potent and selective inhibitor of the secretory pathway Ca²⁺ ATPase (SPCA1) | Biochemical and biophysical research communications |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16749692 | 2006-05-15 | Competitive sorption of pyrene on wood chars | Environmental science & technology |
| 16231125 | 2006-04-01 | Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect | Archives of toxicology |
| 16238337 | 2005-10-28 | Abnormal solvent effects on hydrogen atom abstraction. 3. Novel kinetics in sequential proton loss electron transfer chemistry | The Journal of organic chemistry |
| 15811949 | 2005-04-15 | Secretory pathway Ca(2+)-ATPase (SPCA1) Ca(2)+ pumps, not SERCAs, regulate complex [Ca(2+)](i) signals in human spermatozoa | Journal of cell science |
| 15252483 | 2004-03-21 | Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity | Dalton transactions (Cambridge, England : 2003) |
| 12816477 | 2003-06-27 | Antioxidant activity of o-bisphenols: the role of intramolecular hydrogen bonding | The Journal of organic chemistry |
