2-Hydroxy-4-methoxybenzophenone - ≥99% , Sunscreen, CAS No.131-57-7, Sunscreen

CAS: 131-57-7 Cat. No.: H109416 분자식: C₁₄H₁₂O₃ 분자량: 228.24 Beilstein Registry Number: 1913145 EC 번호: 205-031-5

GRADE & PURITY ≥99%

Synonyms

AI3-23644 | CHEBI:34283 | Methanone, (2-hydroxy-4-methoxyphenyl)phenyl- | MOB | Viosorb 110 | NCGC00016394-07 | OXYBENZONE [HSDB] | SPBio_002893 | ADUVEX 24 | 95OOS7VE0Y | EC 205-031-5 | Eusolex 4360 | Oxibenzona [INN-Spanish] | Prestwick1_000887 | Oxyben

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

2-Hydroxy-4-methoxybenzophenone (benzophenone-3) is commonly employed as a 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.

Specifications

동의어

AI3-23644 | CHEBI:34283 | Methanone, (2-hydroxy-4-methoxyphenyl)phenyl- | MOB | Viosorb 110 | NCGC00016394-07 | OXYBENZONE [HSDB] | SPBio_002893 | ADUVEX 24 | 95OOS7VE0Y | EC 205-031-5 | Eusolex 4360 | Oxibenzona [INN-Spanish] | Prestwick1_000887 | Oxyben

사양 및 순도

≥99%

보관 조건

Argon charged,Room temperature

배송

Normal

작업 유형

INHIBITOR

작동 메커니즘

Sunscreen

순수함

≥99%

제품 특성

ALogP

3.6

이름과 식별자

Pubchem Sid

504750791

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750791

정식 스마일

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

IUPAC Name

(2-hydroxy-4-methoxyphenyl)-phenylmethanone

InChIKey

DXGLGDHPHMLXJC-UHFFFAOYSA-N

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

이성체 SMILES

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

WGK 독일

2

RTECS

DJ1575000

분자량

228.24

Beilstein

1913145

Reaxy-Rn

1913145

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913145&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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: monomethoxybenzene - hydroxybenzophenone

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

관련 대상(인간)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

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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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ADRB2 Tclin Beta-2 adrenergic receptor (11824 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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DRD2 Tclin Dopamine D2 receptor (23596 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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CNR1 Tclin Cannabinoid CB1 receptor (20913 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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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 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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HRH1 Tclin Histamine H1 receptor (7573 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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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 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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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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관련 대상(비인간)

Pde4d Phosphodiesterase 4D (4 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania amazonensis (3813 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Lipe Hormone-sensitive lipase (209 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water；Soluble in toluene and alcohol
• 감도: air sensitive
• 발화점(°F): 212 °F
• 발화점(°C): 100 °C
• 끓는점(°C): 150-160°C
• 녹는점(°C): 62-64°C
• 분자량: 228.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.079 Da
• Monoisotopic Mass: 228.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 258.000
• 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