Phenyl Isobutyrate - ≥98% , CAS No.20279-29-2

CAS: 20279-29-2 Cat. No.: P160147 Summenformel: C₁₀H₁₂O₂ Molekulargewicht: 164.20 EG-Nummer: 630-690-4 PubChem CID: 519756

QUALITÄT & REINHEIT ≥98%

Synonyms

2-methyl-propionic acid phenyl ester | I0482 | Isobutyric acid, phenyl ester | Phenyl 2-methylpropanoate | AS-64057 | Phenyl isobutanoate | DTXSID80334133 | Isobutyric Acid Phenyl Ester | MFCD00157315 | phenyl 2-methylpropionate | D91164 | PIZOACXKIKXRDJ-

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

2-methyl-propionic acid phenyl ester | I0482 | Isobutyric acid, phenyl ester | Phenyl 2-methylpropanoate | AS-64057 | Phenyl isobutanoate | DTXSID80334133 | Isobutyric Acid Phenyl Ester | MFCD00157315 | phenyl 2-methylpropionate | D91164 | PIZOACXKIKXRDJ-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528771690

Kanonisches Lächeln

CC(C)C(=O)OC1=CC=CC=C1

IUPAC Name

phenyl 2-methylpropanoate

InChIKey

PIZOACXKIKXRDJ-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-8H,1-2H3

Isomere SMILES

CC(C)C(=O)OC1=CC=CC=C1

PubChem CID

519756

Molekulargewicht

164.20

Reaxy-Rn

2083885

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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: Moisture sensitive
• Flammpunkt (°C): 89 °C
• Siedepunkt (°C): 110°C/22mmHg(lit.)
• Molekulargewicht: 164.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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