2,2-Dihydroxy-4,4-dimethoxybenzophenone
Product Information
Molecular Formula
C15H14O5
Molecular Weight
274.27
Description
2,2-Dihydroxy-4,4-dimethoxybenzophenone is a biochemical utilized mostly in medical research. It's often used as a light-protective agent in dermatological drugs and in studying UV-induced skin disorders and skin cancer.
Synonyms
Bis(2-hydroxy-4-methoxyphenyl)methanone; Benzophenone-6; Methanone, bis(2-hydroxy-4-methoxyphenyl)-; Cyasorb UV 12; Uvinul D 49; 2,2-Dihydroxy-4,4-Dimethoxybenzophenone; 4,4'-Dimethoxy-2,2'-dihydroxybenzophenone; BENZOPHENONE, 2,2'-DIHYDROXY-4,4'-DIMETHOXY-; bis(4-methoxy-2-oxidanyl-phenyl)methanone; Benzophenone,2'-dihydroxy-4,4'-dimethoxy-; 2,2'-dihydroxy-4,4'-dimethoxy-benzophenone; 2,2/'-Dihydroxy-4,4/'-dimethoxybenzophenone; 2,2\'-Dihydroxy-4,4\'-dimethoxybenzophenone; 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone, 98%
IUPAC Name
bis(2-hydroxy-4-methoxyphenyl)methanone
SMILES
COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O
InChI
InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
InChI Key
SODJJEXAWOSSON-UHFFFAOYSA-N
Boiling Point
377.26°C (rough estimate)
Melting Point
135 °C
Purity
>90.0%(GC)
Density
1.2662 (rough estimate)
Solubility
In water, 27 mg/L at 25 °C (est)
Appearance
Light yellow to Amber to Dark green powder to crystal
Refractive Index
1.5000 (estimate)
LogP
log Kow = 3.90 (est)
Vapor Pressure
7.37X10-9 mm Hg at 25 °C (est)
Henry's Law Constant
1.17X10-10 atm-cu m/mol at 25 °C (est)
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
3.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
274.08412354 g/mol
Monoisotopic Mass
274.08412354 g/mol
Topological Polar Surface Area
76Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
302
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-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 |
| JP-2022031761-A | How to improve the solubility of poorly water-soluble ingredients | 2021-11-22 |
| JP-2022036981-A | Cosmetic blend | 2021-11-19 |
| CN-114015317-A | Antifogging coating, preparation method thereof and antifogging glass | 2021-11-05 |
| CN-113991023-A | Method for enhancing light stability and device performance of perovskite solar cell by adding ultraviolet absorber and device structure | 2021-10-29 |
| CN-113930139-A | Bottom coating composition for diffusion film and diffusion film thereof | 2021-10-14 |
| JP-2021193141-A | Liquid composition containing lipid peptide | 2021-09-27 |
| CN-113801584-A | Photovoltaic packaging adhesive film and photovoltaic module | 2021-09-23 |
| JP-2022008395-A | Red coloring composition for organic EL display device, color filter for organic EL display device and organic EL display device | 2021-09-14 |
| CN-113652880-A | Antioxidant production process of plant indigo-dyed jean fabric | 2021-08-16 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23037998 | 2012-01-01 | Ovariectomized mouse uterotrophic assay of 36 chemicals | The Journal of toxicological sciences |
| 18369292 | 2008-04-01 | Conformations of substituted benzophenones | Acta crystallographica. Section B, Structural science |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16780223 | 2006-06-01 | Activity related to the carcinogenicity of plastic additives in the benzophenone group | Journal of UOEH |
| 16079615 | 2005-08-01 | [Estrogenic activity of ultraviolet absorbers and the related compounds] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
| 15826804 | 2005-06-01 | Estrogenic activity of 37 components of commercial sunscreen lotions evaluated by in vitro assays | Toxicology in vitro : an international journal published in association with BIBRA |
| 11266322 | 2001-02-01 | Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay | Environmental health perspectives |
