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

CAS: 20279-29-2 Cat. No.: P160147 Formula: C₁₀H₁₂O₂ Peso molecolare: 164.20 Numero EC: 630-690-4 PubChem CID: 519756

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528771690

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

519756

Peso molecolare

164.20

Reaxy-Rn

2083885

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°C): 89 °C
• Punto di ebollizione (°C): 110°C/22mmHg(lit.)
• Peso molecolare: 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