4-Acetoxybenzoic acid - ≥99% , CAS No.2345-34-8

CAS: 2345-34-8 Cat. No.: A107224 Fórmula: C₉H₈O₄ Peso molecular: 180.16 Beilstein Registry Number: 1871997 Número EC: 219-066-9

GRADE & PURITY ≥99%

Synonyms

4-ACETOXYBENZOIC ACID | 4-Acetoxy-benzoic acid | MFCD00002540 | NSC11340 | NSC-11340 | W-107402 | 4-Carboxyphenyl acetate | p-Acetyloxybenzoic acid | 4-(Acetyloxy)benzoic acid # | 4-Acetoxy benzoic acid | Q27159246 | A0885 | 4-Acetoxybenzoicacid | 4-acety

Storage

Room temperature

Shipped In

Normal

Descripción general

Kinetics of the bulk polymerization of 4-acetoxybenzoic acid has been investigated. Mono and submono layers of 4-acetoxybenzoic acid chemisorbed on oxidized aluminum has been studied by IR-absorption spectroscopy
4-Acetoxybenzoic acid has been used in the preparation of poly(4-hydroxybenzoate).

Specifications

Sinónimos

4-ACETOXYBENZOIC ACID | 4-Acetoxy-benzoic acid | MFCD00002540 | NSC11340 | NSC-11340 | W-107402 | 4-Carboxyphenyl acetate | p-Acetyloxybenzoic acid | 4-(Acetyloxy)benzoic acid # | 4-Acetoxy benzoic acid | Q27159246 | A0885 | 4-Acetoxybenzoicacid | 4-acety

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488182305

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182305

Sonrisas canónicas

CC(=O)OC1=CC=C(C=C1)C(=O)O

IUPAC Name

4-acetyloxybenzoic acid

InChIKey

GDBUZIKSJGRBJP-UHFFFAOYSA-N

INCHI

1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)

Isómeros SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)O

WGK Alemania

3

Peso molecular

180.16

Beilstein

1871997

Reaxy-Rn

1871997

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871997&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: Benzoic acids Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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: acetate ester - benzoic acids

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 190-194°C
• Peso molecular: 180.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.042 Da
• Monoisotopic Mass: 180.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% 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 2345-34-8, the molecular formula is C9H8O4, and the molecular weight is 180.16 g/mol. InChIKey GDBUZIKSJGRBJP-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.