4-Nitrophenyl decanoate - ≥98% , CAS No.1956-09-8

CAS: 1956-09-8 Cat. No.: N333265 Peso molecular: 293.36 Número EC: 625-505-9

GRADE & PURITY ≥98%

Synonyms

Decanoic acid 4-nitrophenyl ester | 4-Nitrophenyl decanoate, lipase substrate | Decanoic acid, 4-nitrophenyl ester | (4-nitrophenyl) Decanoate | DTXSID30403181 | SCHEMBL136672 | p-nitrophenyl decanoate | 4-Nitrophenyldecanoate | W-200567 | 4-NITROPHENYL D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Decanoic acid 4-nitrophenyl ester | 4-Nitrophenyl decanoate, lipase substrate | Decanoic acid, 4-nitrophenyl ester | (4-nitrophenyl) Decanoate | DTXSID30403181 | SCHEMBL136672 | p-nitrophenyl decanoate | 4-Nitrophenyldecanoate | W-200567 | 4-NITROPHENYL D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763018
• Sonrisas canónicas: CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• IUPAC Name: (4-nitrophenyl) decanoate
• InChIKey: RRNKCSIEGPOIKI-UHFFFAOYSA-N
• INCHI: 1S/C16H23NO4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3
• Isómeros SMILES: CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 293.36
• Reaxy-Rn: 1915230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform (100 mg/mL)
• Punto de fusión (°C): 35° C
• Peso molecular: 293.360 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 293.163 Da
• Monoisotopic Mass: 293.163 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 306.000
• 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

Referencias

1. Linlin Xu, Fei Pan, Yingnan Li, Huiqian Liu, Chengtao Wang.  (2023)  Characterization and Molecular Dynamics Simulation of a Lipase Capable of Improving the Functional Characteristics of an Egg-Yolk-Contaminated Liquid Egg White.  Foods,  12  (22): (4098).  [PMID:38002155] [10.3390/foods12224098]

2. Hang Ning, Wen-long Liu, Qing-yun Li, You-yan Liu, Shi-ting Huang, Hai-bo Liu, Ai-xing Tang.  (2024)  Substrate Characterization for Hydrolysis of Multiple Types of Aromatic Esters by Promiscuous Aminopeptidases.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39021280] [10.1021/acs.jafc.4c02053]

3. Jiawei Zheng, Qiangyue Zhang, Nanjing Zhong.  (2025)  Selective synthesis of triacylglycerols by the ADS-17-supported Candida antarctica lipase B through esterification of oleic acid and glycerol.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  105  (7): (3931-3941).  [PMID:39835430] [10.1002/jsfa.14137]

4. Yuchen Wang, Lu Wang, Anjun Li, Jiangjing Gao, Shuyang Hu, Yan Xu, Xiao-Wei Yu.  (2026)  Mining and Engineering a Thermostable Lipase from Baijiu Daqu.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:] [10.1021/acs.jafc.5c17545]