2,2-Dihydroxy-4,4-dimethoxybenzophenone

Inquiry

Molecular Formula:

C15H14O5

Molecular Weight:

274.27

CAS Number:

131-54-4

Catalog Number:

131-54-4

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

274.08412354 g/mol

Monoisotopic Mass

274.08412354 g/mol

Topological Polar Surface Area

76Å²

Heavy Atom Count

Formal Charge

Complexity

302

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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