2,2-Bis(4-hydroxy-3-methylphenyl)propane
Product Information
Molecular Formula
C17H20O2
Molecular Weight
256.34
Description
2,2-Bis(4-hydroxy-3-methylphenyl)propane (CAS# 79-97-0) is a congener of Bisphenol A; a well known endocrine-disrupting chemical with estrogenic activity.
Synonyms
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
IUPAC Name
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILES
CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChI Key
YMTYZTXUZLQUSF-UHFFFAOYSA-N
Boiling Point
238-240 °C12 mmHg (lit.)
Melting Point
138-140 °C (lit.)
Purity
> 98.0 % (GC)
Density
1.0421 (rou gh estimate)
Appearance
White to almost white powder to crystal
Refractive Index
1.5000 (estimate)
LogP
4.04050
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
256.146329876 g/mol
Monoisotopic Mass
256.146329876 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
272
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-2022043346-A | Thermal discoloration writing tool | 2022-01-14 |
| JP-2022031758-A | A photosensitive resin composition, a photosensitive film using the photosensitive resin composition, a method for forming a resist pattern, and a printed wiring board. | 2021-11-19 |
| CN-112812721-A | Curable epoxy resin composition | 2021-02-08 |
| CN-112979936-A | Method for preparing polycarbonate by using eutectic solvent as catalyst | 2021-02-08 |
| JP-2021080457-A | Thermosetting resin compositions, prepregs, laminates, printed wiring boards and semiconductor packages | 2021-01-13 |
| JP-2021041714-A | Thermal discoloration writing tool | 2020-12-15 |
| JP-2021049782-A | Fiber composite and its manufacturing method | 2020-11-26 |
| CN-112521644-A | Interface modified carbon fiber/epoxy resin matrix composite material and preparation method thereof | 2020-11-20 |
| KR-102303031-B1 | Method for preparing glass fiber-reinforced Polycarbonate resin composition with good appearance, surface property and impact resistance | 2020-10-27 |
| JP-2021009412-A | Photosensitive resin composition for color filters | 2020-10-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 34328988 | 2021-11-01 | Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols | The Science of the total environment |
| 34299453 | 2021-07-09 | Study on the Joint Toxicity of BPZ, BPS, BPC and BPF to Zebrafish | Molecules (Basel, Switzerland) |
| 31415773 | 2019-10-01 | Differential activity of BPA, BPAF and BPC on zebrafish estrogen receptors in vitro and in vivo | Toxicology and applied pharmacology |
| 30649549 | 2019-04-01 | A Conflicted Tale of Two Novel AR Antagonists In Vitro and In Vivo: Pyrifluquinazon Versus Bisphenol C | Toxicological sciences : an official journal of the Society of Toxicology |
| 23768907 | 2013-07-15 | Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERα-selective antagonist | Bioorganic & medicinal chemistry letters |
| 17213659 | 2007-01-01 | Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater | Bioscience, biotechnology, and biochemistry |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16749452 | 2006-01-01 | Biodegradation of a variety of bisphenols under aerobic and anaerobic conditions | Water science and technology : a journal of the International Association on Water Pollution Research |
