Phenyl 4-methoxybenzoate - ≥95% , CAS No.4181-97-9

CAS: 4181-97-9 Cat. No.: P193342 Fórmula: C₁₄H₁₂O₃ Peso molecular: 228.24

GRADE & PURITY ≥95%

Synonyms

InChI=1/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3 | MFCD00443298 | Phenyl 4-methoxybenzoate | 4-METHOXY-BENZOICACIDPHENYLESTER | phenyl p-anisate | DTXSID60323469 | DS-7068 | CBDivE_014078 | AC-21024 | AKOS002947778 | phenyl-4-m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

InChI=1/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3 | MFCD00443298 | Phenyl 4-methoxybenzoate | 4-METHOXY-BENZOICACIDPHENYLESTER | phenyl p-anisate | DTXSID60323469 | DS-7068 | CBDivE_014078 | AC-21024 | AKOS002947778 | phenyl-4-m

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

IUPAC Name

phenyl 4-methoxybenzoate

InChIKey

BNZYBNYNPXKWCM-UHFFFAOYSA-N

INCHI

1S/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3

SMILES isoméricas

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

Peso molecular

228.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: P-methoxybenzoic acids and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - P-methoxybenzoic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 367.7±25.0 °C at 760 mmHg
• Ponto de fusão (°C): 73.7 °C
• Peso molecular: 228.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.079 Da
• Monoisotopic Mass: 228.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 238.000
• 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

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 4181-97-9, the molecular formula is C14H12O3, and the molecular weight is 228.24 g/mol. InChIKey BNZYBNYNPXKWCM-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.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.