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
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.
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].
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 |
