Ethyl phenethyl acetal - ≥99% , CAS No.2556-10-7

CAS: 2556-10-7 Cat. No.: E414385 Fórmula: C₁₂H₁₈O₂ Peso molecular: 194.27 Número CE: 219-868-9

GRAU & PUREZA ≥99%

Synonyms

CCG-266540 | FT-0698108 | EINECS 219-868-9 | QQDGMPOYFGNLMT-UHFFFAOYSA- | AC-34215 | Acetaldehyde ethyl 2-phenylethyl acetal | BRN 2364509 | Acetaldehyde, ethyl phenethyl acetal | Ethanal, ethyl phenylethyl acetal | InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Efetaal has a fresh floral hyacinth note with a suggestion of muguet and green leaves.

Especificações

Sinónimos

CCG-266540 | FT-0698108 | EINECS 219-868-9 | QQDGMPOYFGNLMT-UHFFFAOYSA- | AC-34215 | Acetaldehyde ethyl 2-phenylethyl acetal | BRN 2364509 | Acetaldehyde, ethyl phenethyl acetal | Ethanal, ethyl phenylethyl acetal | InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-1

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Efetaal has a fresh floral hyacinth note with a suggestion of muguet and green leaves.

Condições de armazenamento de armazenamento

Protected from light,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

≥99%

Propriedades do produto

ALogP

2.333

hba_count

2

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

488187314

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187314

Sorrisos canónicos

CCOC(C)OCCC1=CC=CC=C1

IUPAC Name

2-(1-ethoxyethoxy)ethylbenzene

InChIKey

QQDGMPOYFGNLMT-UHFFFAOYSA-N

INCHI

1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

SMILES isoméricas

CCOC(C)OCCC1=CC=CC=C1

Peso molecular

194.27

Reaxy-Rn

2364509

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2364509&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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: 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

• Sensibilidade: Light sensitive；Heat sensitive
• Peso molecular: 194.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 194.131 Da
• Monoisotopic Mass: 194.131 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1