acetato de 2-feniletilo - ≥98%(GC) , CAS No.103-45-7

CAS: 103-45-7 Cat. No.: P160150 Fórmula: C₁₀H₁₂O₂ Peso molecular: 164.2 Beilstein Registry Number: 638179 Número EC: 203-113-5

GRADE & PURITY ≥98%(GC)

Synonyms

.beta.-Phenethyl acetate | Phenylethyl acetate-.beta. | 67733846OW | EC 203-113-5 | UNII-67733846OW | PHENETHYL ACETATE [FHFI] | 2-Phenylethylacetate | beta -phenylethyl acetate | 2-phenylethyl ester | DTXCID5024506 | 2-Phenylethyl acetate, 9CI | Phenethy

Storage

Room temperature

Shipped In

Normal

Descripción general

Presencia natural: Melón, piña, uva, brandy, zarza ártica, aceitunas y lechuga. El acetato de fenetilo es un compuesto aromatizante volátil que se encuentra en los granos de cacao de Malasia, el queso cheddar, el vino, el brandy y otras bebidas alcohólicas derivadas de la uva.

Specifications

Sinónimos

.beta.-Phenethyl acetate | Phenylethyl acetate-.beta. | 67733846OW | EC 203-113-5 | UNII-67733846OW | PHENETHYL ACETATE [FHFI] | 2-Phenylethylacetate | beta -phenylethyl acetate | 2-phenylethyl ester | DTXCID5024506 | 2-Phenylethyl acetate, 9CI | Phenethy

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504751422

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751422

Sonrisas canónicas

CC(=O)OCCC1=CC=CC=C1

IUPAC Name

2-phenylethyl acetate

InChIKey

MDHYEMXUFSJLGV-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

Isómeros SMILES

CC(=O)OCCC1=CC=CC=C1

WGK Alemania

1

RTECS

AJ2220000

Peso molecular

164.2

Beilstein

638179

Reaxy-Rn

638179

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: acetate ester

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: It is insoluble in paraffin oil, water. Soluble in alcohol, dipropylene glycol, fixed oils, kerosene, propylene glycol.
• Índice de refracción: 1.4970 to 1.4990
• Punto de inflamación (°F): 110 °C
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 238-239 °C
• Punto de fusión (°C): -31°C
• Peso molecular: 164.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 103-45-7, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey MDHYEMXUFSJLGV-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.