2,2-Methylenebis(6-tert-butyl-4-ethylphenol)

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Product Information

Molecular Formula:
C25H36O2
Molecular Weight:
368.55
Description
Antioxidant
Synonyms
Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane||||3,3'-Di-tert-butyl-5,5'-diethyl-2,2'-dihydroxydiphenylmethane||||2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
IUPAC Name
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
Canonical SMILES
CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O
InChI
InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3
InChI Key
GPNYZBKIGXGYNU-UHFFFAOYSA-N
Boiling Point
177-179 °C/3 mmHg(lit.)
Melting Point
125 °C
Flash Point
235.4 °F
Purity
>98.0%(GC)
Density
1.010
Appearance
White to Almost white powder to crystal
Application
Used as an antioxidant.
Refractive Index
n20/D 1.542 (lit.)

Safety Information

Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3
8.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
368.271530387 g/mol
Monoisotopic Mass
368.271530387 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
416
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
JP-2022043096-A Resin composition, method for manufacturing cured relief pattern, and semiconductor device 2021-12-01
CN-113735907-A High-yield preparation method of organic phosphate nucleating agent 2021-09-26
CN-113801584-A Photovoltaic packaging adhesive film and photovoltaic module 2021-09-23
CN-113667207-A Preparation method of Polyethylene (PE) composite material 2021-09-13
CN-113582819-A Synthesis method of 2-tert-butyl-4-ethylphenol 2021-08-07
JP-7005063-B1 Hot melt adhesive 2021-06-17
CN-113416501-A Composite adhesive film, photovoltaic module and irradiation light reflection method for composite adhesive film 2021-06-16
CN-113372788-A Polyester resin color steel plate water-based paint and preparation method thereof 2021-05-20
JP-6998483-B1 Ink composition 2021-05-12

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
24518828 2014-04-21 Molecular docking revealed potential disruptors of glucocorticoid receptor-dependent reporter gene expression Toxicology letters
16231125 2006-04-01 Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect Archives of toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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