Benzoato di benzile - ≥99%(GC) , CAS No.120-51-4

CAS: 120-51-4 Cat. No.: B103894 Formula: C₁₄H₁₂O₂ Peso molecolare: 212.24 Beilstein Registry Number: 2049280 Numero EC: 204-402-9

GRADE & PURITY ≥99%(GC)

Synonyms

Acido benzoico estere benzilico

Storage

Al riparo dalla luce, a temperatura ambiente

Shipped In

Normale

Panoramica

Aroma leggermente gradevole con sapore di bruciato. Può evaporare con il vapore acqueo. Può essere miscelato con alcoli, cloroformio, eteri e oli, insolubile in acqua o glicerolo. Bassa tossicità, metà dose letale (ratto, orale) 1700mg/kg. Il benzoato di benzile è un composto benzilico che può essere sintetizzato facendo reagire il cloruro di benzile con il benzoato di sodio in presenza di tetrabutilaramonio ioduro. È stato segnalato come il costituente chiave degli oli essenziali isolati dalle foglie e dalla corteccia del fusto di Cinnamomum zeylanicum. È stata valutata la sua tossicità. È stato studiato il meccanismo di decomposizione termica del benzoato di benzile.

Applicazione: il benzoato di benzile

Il benzoato di benzile è stato utilizzato per:
Preparare la soluzione di alcool benzilico/benzoato (BABB) utilizzata per migliorare la trasparenza dei tessuti durante il metodo BABB di immunocolorazione a montaggio intero.
Studiare la sua capacità di indurre una risposta olfattiva nelle larve di terzo istarto di Drosophila melanogaster.
Preparare il liquido di Spalteholz in combinazione con il salicilato di metile, utilizzato durante l'imaging LSFM (light sheet fluorescence microscopy).

Specifications

Sinonimi

Acido benzoico estere benzilico

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Al riparo dalla luce, a temperatura ambiente

Spedito in

Normale

Purezza

≥99%(GC)

Proprietà del prodotto

ALogP

4

Nomi e identificatori

Pubchem Sid

508816428

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816428

Sorrisi canonici

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

IUPAC Name

benzyl benzoate

InChIKey

SESFRYSPDFLNCH-UHFFFAOYSA-N

INCHI

1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Isomeri SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

WGK Germania

2

RTECS

DG4200000

Peso molecolare

212.24

Beilstein

2049280

Reaxy-Rn

2049280

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049280&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzyloxycarbonyls Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: a small molecule

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with ethanol, alcohol, chloroform, ether, oils
• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.5681
• Punto di infiammabilità (°C): 158℃
• Punto di ebollizione (°C): 323-324°C
• Punto di fusione (°C): 21°C
• Peso molecolare: 212.240 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• 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