2-(4-Ethoxyphenyl)-2-methylpropanol - ≥98%(GC) , CAS No.83493-63-4

CAS: 83493-63-4 Cat. No.: E156556 Summenformel: C₁₂H₁₈O₂ Molekulargewicht: 194.27 EG-Nummer: 680-130-8

GRADE & PURITY ≥98%(GC)

Synonyms

4-ethoxyneophyl alcohol | PENA | 2-(4-ethoxyphenyl)-2-methyl-1-propanol | METHYL6-BROMOQUINOLINE-2-CARBOXYLATE | 2-(4-Ethoxyphenyl)-2-methylpropanol | AS-63625 | Q27119828 | CHEBI:39350 | E0730 | J-505972 | p-ethoxyneophyl alcohol | 2-(4-ethoxyphenyl)-2-m

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-ethoxyneophyl alcohol | PENA | 2-(4-ethoxyphenyl)-2-methyl-1-propanol | METHYL6-BROMOQUINOLINE-2-CARBOXYLATE | 2-(4-Ethoxyphenyl)-2-methylpropanol | AS-63625 | Q27119828 | CHEBI:39350 | E0730 | J-505972 | p-ethoxyneophyl alcohol | 2-(4-ethoxyphenyl)-2-m

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

528755874

Kanonisches Lächeln

CCOC1=CC=C(C=C1)C(C)(C)CO

IUPAC Name

2-(4-ethoxyphenyl)-2-methylpropan-1-ol

InChIKey

OZEZBKUHAGFQME-UHFFFAOYSA-N

INCHI

1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3

Isomere SMILES

CCOC1=CC=C(C=C1)C(C)(C)CO

Molekulargewicht

194.27

Reaxy-Rn

5508387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5508387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: aromatic ether - propan-1-ols

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

• Schmelzpunkt (°C): 48 °C
• Molekulargewicht: 194.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.131 Da
• Monoisotopic Mass: 194.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 158.000
• 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