2-Hydroxy-4-methoxybenzophenone - CAS 131-57-7

Catalog:	BB007451
Product Name:	2-Hydroxy-4-methoxybenzophenone
CAS:	131-57-7
Synonyms:	(2-hydroxy-4-methoxyphenyl)-phenylmethanone
Application:	Used as an ultraviolet light absorber and stabilizer (especially in plastics), photostabilizer for synthetic resins, and topical sunscreen agent.

Technical Data

IUPAC Name:	(2-hydroxy-4-methoxyphenyl)-phenylmethanone
Description:	2-Hydroxy-4-methoxybenzophenone (benzophenone-3) is commonly employed as broad-band UV-filter in sunscreen cosmetic products. It protects skin from the deleterious effects of the sun. It is one of the sunscreen constituent and its trace determination in water samples by solid-phase microextraction (SPME) and gas chromatography with flame ionization and mass spectrometric detection has been reported.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI:	InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChI Key:	DXGLGDHPHMLXJC-UHFFFAOYSA-N
Boiling Point:	150-160 ℃ / 5 mmHg
Melting Point:	62-64 ℃
Flash Point:	100 °C (212 °F) - closed cup
Purity:	> 98 %
Density:	0.8 g/cm³ (25 ℃)
Solubility:	less than 1 mg/mL at 68 °F
Appearance:	White to light yellow to green powder to crystal
Storage:	Inert atmosphere, Room Temperature
Decomposition:	When heated to domposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008387
LogP:	2.63180
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.00000142 [mmHg]

GHS Hazard Statement:	H315 (81.99%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-10980756-B1	Methods of treatment	20200316
US-2021186857-A1	Skin rejuvenating composition	20191220
WO-2021122491-A1	Catheter sheath for acoustically amplifying laser-induced pressure waves	20191220
WO-2021125323-A1	Pink bollworm control method	20191220
WO-2021125325-A1	Method for simultaneously preventing pink bollworm and american bollworm	20191220

PMID	Publication Date	Title	Journal
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
33405908	20210215	A Gene Expression Biomarker Identifies Chemical Modulators of Estrogen Receptor α in an MCF-7 Microarray Compendium	Chemical research in toxicology
32407875	20200901	Benzophenone-3 and benzophenone-8 exhibit obesogenic activity via peroxisome proliferator-activated receptor γ pathway	Toxicology in vitro : an international journal published in association with BIBRA
31939680	20200101	Effects of Benzophenone-3 and Propylparaben on Estrogen Receptor-Dependent R-Loops and DNA Damage in Breast Epithelial Cells and Mice	Environmental health perspectives
31368502	20190731	Benzophenone-3 passes through the blood-brain barrier, increases the level of extracellular glutamate and induces apoptotic processes in the hippocampus and frontal cortex of rats	Toxicological sciences : an official journal of the Society of Toxicology

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6