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

CAS: 2556-10-7 Cat. No.: E414385 Summenformel: C₁₂H₁₈O₂ Molekulargewicht: 194.27 EG-Nummer: 219-868-9

GRADE & PURITY ≥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

Übersicht

Information

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

Specifications

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

≥99%

Biochemische und physiologische Mechanismen

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

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Produkteigenschaften

• ALogP: 2.333
• hba_count: 2
• Rotationsfähige Bindung: 6

Namen und Kennungen

• Pubchem Sid: 488187314
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187314
• 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

• Empfindlichkeit: Light sensitive；Heat sensitive
• 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