Efetaal - 10mM in DMSO , CAS No.2556-10-7

CAS: 2556-10-7 Cat. No.: E422889 Fórmula: C₁₂H₁₈O₂ Peso molecular: 194.27 Número EC: 219-868-9

CALIDAD & PUREZA 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

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

Especificaciones

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

ALogP

2.333

hba_count

2

Enlace rotable

6

Nombres e identificadores

Pubchem Sid

528771179

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771179

Sonrisas canónicas

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

Isómeros SMILES

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
    • 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: Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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: 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

Propiedades químicas y físicas

• 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