Phenyl acetate - ≥98% , CAS No.122-79-2

Name: Phenyl acetate - ≥98% , CAS No.122-79-2
SKU: P108579
Availability: InStock

CAS: 122-79-2 Cat. No.: P108579 Fórmula: C₈H₈O₂ Peso molecular: 136.15 Beilstein Registry Number: 636458 Número EC: 204-575-0

6 Citations COA

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Phenyl acetate - ≥98% CAS No(122-79-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

Q419645 | DTXSID3051626 | FT-0673718 | PS-5400 | PHENYL ACETATE [MI] | PHENYL ACETATE [FHFI] | PHENYL ACETATE [HSDB] | (Acetyloxy)benzene | Acetylphenol | NSC27795 | NSC-27795 | AI3-01972 | Fenylester kyseliny octove | InChI=1/C8H8O2/c1-7(9)10-8-5-3-2-4-6

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Citations of This Product Calculadoras de soluciones Reseñas Preguntas frecuentes

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Phenyl acetate is an aromatic ester. Phenyl acetate levels in urine are marker for the diagnosis of some forms of unipolar major depressive disorders. It undergoes Fries rearrangement to form a mixture of o- and p-hydroxyacetophenones which are useful intermediates in manufacture of pharmaceuticals.

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183137

Sonrisas canónicas

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

IUPAC Name

phenyl acetate

InChIKey

IPBVNPXQWQGGJP-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

Isómeros SMILES

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

WGK Alemania

RTECS

AJ2800000

Número ONU

1993

Grupo de embalaje

Peso molecular

136.15

Beilstein

636458

Reaxy-Rn

636458

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636458&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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	Phenoxy compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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
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

Estructura 3D

Objetivos asociados (humanos)

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
I2220591	Certificate of Analysis	Jul 06, 2026	P108579
I2220592	Certificate of Analysis	Jul 06, 2026	P108579
I2220607	Certificate of Analysis	Jul 06, 2026	P108579
B2307059	Certificate of Analysis	Sep 01, 2022	P108579
D2620072	Certificate of Analysis	Sep 01, 2022	P108579
E2607085	Certificate of Analysis	Sep 01, 2022	P108579
I2220590	Certificate of Analysis	Sep 01, 2022	P108579
B2226335	Certificate of Analysis	Jan 06, 2022	P108579
B2226366	Certificate of Analysis	Jan 06, 2022	P108579
B2209267	Certificate of Analysis	Dec 30, 2021	P108579
B2209289	Certificate of Analysis	Dec 30, 2021	P108579
B2209291	Certificate of Analysis	Dec 30, 2021	P108579
B2209293	Certificate of Analysis	Dec 30, 2021	P108579
B2307060	Certificate of Analysis	Dec 30, 2021	P108579

Solubilidad	Soluble in water (4 g/L at 20°C).
Sensibilidad	heat sensitive
Índice de refracción	1.501
Punto de inflamación (°F)	170.6 °F
Punto de inflamación (°C)	76℃
Punto de ebullición (°C)	195-196°C
Peso molecular	136.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	136.052 Da
Monoisotopic Mass	136.052 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114.000
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

Phenyl acetate - ≥98% , CAS No.122-79-2

Storage & shipping

Quality documents

Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reseñas de cliente

Preguntas frecuentes

📚 Citations by Application

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