4,4'-ETHYLIDENEBISPHENOL

Product Information

Molecular Formula:
C14H12O2
Molecular Weight:
212.24
Description
Applications: Bisphenol E is a derivative of Bisphenol A (B519495) which is a monomer used for polycarbonate and epoxy resins.
Synonyms
BISPHENOL E; 4,4'-ETHYLIDENEBISPHENOL; 4,4'-ETHYLIDENEDIPHENOL; 1,1-BIS(4-HYDROXYPHENYL)ETHANE; Ethylidenebisphenol; 4,4'-ETHYLIDENEBISPHENOL 99%; 4,4'-ETHYLIDENEBISPHENOL 98+%; 4,4'-(Methylmethylene)bisphenol
IUPAC Name
4-[1-(4-hydroxyphenyl)ethyl]phenol
Canonical SMILES
CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
InChI Key
HCNHNBLSNVSJTJ-UHFFFAOYSA-N
Boiling Point
215 °C(Press: 0.7 Torr)
Melting Point
123-127 °C(lit.)
Purity
>98.0%(GC)
Density
1.171±0.06 g/cm3(Predicted)
Storage
-20°C Freezer

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
3.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
214.099379685 g/mol
Monoisotopic Mass
214.099379685 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
179
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
EP-3786211-A1 Curable composition and cured composition prepared therefrom 2020-02-28
US-10961208-B1 Product of glycidyl ether of a mono or polyhydric phenol 2019-12-24
EP-3842466-A1 Product of glycidyl ether of a mono or polyhydric phenol, epoxy resin composition, and process for producing product of glycidyl ether of a mono or polyhydric phenol 2019-12-24
EP-3838891-A1 Aldimines and uses thereof 2019-12-19
WO-2021122594-A1 Aldimines and uses thereof 2019-12-19
US-2021179868-A1 Three-Dimensional Printing System Employing A Thermally Conductive Polymer Composition 2019-12-17
US-2021179870-A1 Three-Dimensional Printing System Employing A Thermotropic Liquid Crystalline Polymer 2019-12-17
WO-2021126796-A1 Molded articles comprising a post-consumer recycle polycarbonate and method for the manufacture thereof 2019-12-16
WO-2021115916-A1 Suspension concentrate 2019-12-13
WO-2021112473-A1 Polycarbonate composition and optical product formed therefrom 2019-12-04

Literatures

PMID Publication Date Title Journal
36195136 2022-11-15 Bisphenol A analogues induce a feed-forward estrogenic response in zebrafish Toxicology and applied pharmacology
35077665 2022-02-25 New bisphenol A and bisphenol S analogs: Evaluation of their hERα agonistic and antagonistic activities using the OECD 455 in-vitro assay and molecular modeling Chemico-biological interactions
34328988 2021-11-01 Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols The Science of the total environment
32763284 2020-10-01 In vitro evaluation of the hepatic lipid accumulation of bisphenol analogs: A high-content screening assay Toxicology in vitro : an international journal published in association with BIBRA
31820560 2020-05-01 Bisphenols B, E, F, and S and 4-cumylphenol induce lipid accumulation in mouse adipocytes similarly to bisphenol A Environmental toxicology
31532523 2019-12-01 Prenatal Exposure to Bisphenol A, E, and S Induces Transgenerational Effects on Male Reproductive Functions in Mice Toxicological sciences : an official journal of the Society of Toxicology
31132128 2019-08-01 Prenatal Exposure to Bisphenol A, E, and S Induces Transgenerational Effects on Female Reproductive Functions in Mice Toxicological sciences : an official journal of the Society of Toxicology
30629253 2019-04-01 Prenatal Exposure to Bisphenol A Analogues on Female Reproductive Functions in Mice Toxicological sciences : an official journal of the Society of Toxicology
21269433 2011-01-26 Bisphenol A induces otolith malformations during vertebrate embryogenesis BMC developmental biology
17213659 2007-01-01 Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater Bioscience, biotechnology, and biochemistry
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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