Desoxyanisoin - ≥98% , CAS No.120-44-5

CAS: 120-44-5 Cat. No.: D166478 Summenformel: C₁₆H₁₆O₃ Molekulargewicht: 256.3

GRADE & PURITY ≥98%

Synonyms

NSC26660 | NSC-26660 | SR-01000388834-1 | T89TFW8HSV | 1,2 bis-(4-methoxy-phenyl)-ethanone | AI3-25259 | Ethanone, 1,2-bis(4-methoxyphenyl)- | FT-0624507 | Desoxyanisoin | MFCD00008406 | p-Methoxybenzyl p-methoxyphenyl ketone | A804508 | 4,4'-Dimethoxydeo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NSC26660 | NSC-26660 | SR-01000388834-1 | T89TFW8HSV | 1,2 bis-(4-methoxy-phenyl)-ethanone | AI3-25259 | Ethanone, 1,2-bis(4-methoxyphenyl)- | FT-0624507 | Desoxyanisoin | MFCD00008406 | p-Methoxybenzyl p-methoxyphenyl ketone | A804508 | 4,4'-Dimethoxydeo

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183898
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183898
• Kanonisches Lächeln: COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
• IUPAC Name: 1,2-bis(4-methoxyphenyl)ethanone
• InChIKey: SICBLYCPRWNHHP-UHFFFAOYSA-N
• INCHI: 1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
• Isomere SMILES: COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
• WGK Deutschland: 3
• Molekulargewicht: 256.3
• Reaxy-Rn: 1536594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1536594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Sparingly soluble in water.
• Schmelzpunkt (°C): 109-113°C
• Molekulargewicht: 256.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.11 Da
• Monoisotopic Mass: 256.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 274.000
• 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

Referenzen

1. Gang Tang, Yani Zhang, Feilong Wang, Zhenfeng Cheng, Haojie Shi, Tiwen Xu, Xiuyu Liu, Xin Wang.  (2025)  Intrinsically anti-flammable and highly heat-resistant deoxybenzoin-derived bismaleimide resins containing no conventional flame-retardant elements.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129497]

2. Lixia Li, Feiyue Li, Manman Cui, Lijie Liu, Xiang Zhen, Jiayuan Wei, Jiabao Cui, Jianxun Dong, Jinxing Long, Mingdong Dong, Xiaobing Wang.  (2026)  Controlling Cleavage of Cα–Cβ Bonds in Lignin Induced by Photo-Driven Iron Salt at Simulated Natural Environment Conditions.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c08182]

Häufig gestellte Fragen

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 120-44-5, the molecular formula is C16H16O3, and the molecular weight is 256.3 g/mol. InChIKey SICBLYCPRWNHHP-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.