2,2-Dihydroxy-4,4-dimethoxybenzophenone

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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
Canonical 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.
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
3.3
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
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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