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

CAS: 2556-10-7 Cat. No.: E422889 Summenformel: C₁₂H₁₈O₂ Molekulargewicht: 194.27 EG-Nummer: 219-868-9

QUALITÄT & REINHEIT 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

Übersicht

Information

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

2.333

hba_count

2

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

528771179

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

CCOC(C)OCCC1=CC=CC=C1

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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