2,2′-Dihydroxy-4-methoxybenzophenone - ≥98% , CAS No.131-53-3

CAS: 131-53-3 Cat. No.: D102209 Fórmula: C₁₄H₁₂O₄ Peso molecular: 244.24 Número CE: 205-026-8

GRAU & PUREZA ≥98%

Synonyms

Pharmakon1600-01500255|DIOXYBENZONE [USAN]|Dioxibenzona [INN-Spanish]|UF 2|DIOXYBENZONE [WHO-DD]|BENZOPHENONE-8 [INCI]|dioxybenzone|Spectro-sorb UV 24|Dioxibenzonum|(2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone|(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone|(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone|2,2'-dihydroxy-methoxybenzophenone|Dioxibenzona|DIOXYBENZONE [USP MONOGRAPH]|Dioxybenzonum [INN-Latin]|Benzophenone,2'-dihydroxy-4-methoxy-|DIOXYBENZONE [INN]|2,2'-dihydroxy-4-methoxy benzophenone|Cyasorb UV 24 Light Absorber|DIOXYBENZONE [MART.]|Benzophenone-8|Spectra-Sorb UV-24|UV-24|Benzophenone, 2,2'-dihydroxy-4-methoxy-|Dioxybenzon|2,2'-DIHYDROXY-4-METHOXYBENZOPHENONE|2,2'-dihydroxy-4-methoxy-benzophenone|2,2'-dihydroxy-4-methoxybenzo-phenone|SBI-0051353.P003|Benzophenone-8;UV-24|2,2 inverted exclamation marka-Dihydroxy-4-methoxybenzophenone|DIOXYBENZONE [MI]|Dioxybenzone [USAN:USP:INN]|Advastab 47|2-(2-hydroxybenzoyl)-5-methoxyphenol|UV 24|Dioxybenzone (USP/INN)|DIOXYBENZONE [VANDF]|Cyasorb UV 24|Dioxybenzonum|Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-

Storage

Room temperature

Shipped In

Normal

Visão geral

general description：

Dioxybenzone belongs to the class of organic UV filters, which find wide application in personal care products and food packaging materials. These filters are prevalently employed as active ingredients in sunscreen formulations due to their ability to emit and/or absorb UVA and UVB radiations. Owing to their ubiquitous use and discharge into the environment, they are identified as common environmental pollutants.

application：

Dioxybenzone may be used as an analytical standard for the determination of the analyte in animal samples, artificial seawater samples, fresh and saline waters by various chromatographic techniques.

Especificações

Sinónimos

Pharmakon1600-01500255 | DIOXYBENZONE [USAN] | Dioxibenzona [INN-Spanish] | UF 2 | DIOXYBENZONE [WHO-DD] | BENZOPHENONE-8 [INCI] | dioxybenzone | Spectro-sorb UV 24 | Dioxibenzonum | (2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone | (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone | (2-Hydroxy-4-methoxyphenyl)(2-hydroxypheny Show more

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488180832

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180832

Sorrisos canónicos

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

IUPAC Name

(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

InChIKey

MEZZCSHVIGVWFI-UHFFFAOYSA-N

INCHI

1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

SMILES isoméricas

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

WGK Alemanha

3

RTECS

DJ1049500

Peso molecular

244.24

Reaxy-Rn

2055461

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Methoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Methoxyphenol - Anisole - Phenoxy compound - Methoxybenzene - Benzoyl - Aryl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Vinylogous acid - Ketone - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: benzophenones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

Explore this target

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rep Replicase polyprotein 1ab (378 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Ethanol,Benzene,Toluene
• Ponto de ebulição (°C): 170-175°C
• Ponto de fusão (°C): 73-75°C
• Peso molecular: 244.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 131-53-3, the molecular formula is C14H12O4, and the molecular weight is 244.24 g/mol. InChIKey MEZZCSHVIGVWFI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.