4’-Isobutylacetophenone - ≥97% , CAS No.38861-78-8

CAS: 38861-78-8 Cat. No.: I135493 Formule: C₁₂H₁₆O Poids moléculaire: 176.26 Numéro CE: 254-159-8

GRADE & PURITY ≥97%

Synonyms

DTXSID6068147 | NSC173015 | NSC-173015 | STL194156 | I0417 | UNII-AML715RD20 | Z104484764 | 1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE | 1-(4-Isobutylphenyl)ethan-1-one | AML715RD20 | EINECS 254-159-8 | Ethanone, 1-(4-(2-methylpropyl)phenyl)- | HN39MC8KIO | InC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

A useful biochemical for proteomics research.

Specifications

Synonymes

DTXSID6068147 | NSC173015 | NSC-173015 | STL194156 | I0417 | UNII-AML715RD20 | Z104484764 | 1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE | 1-(4-Isobutylphenyl)ethan-1-one | AML715RD20 | EINECS 254-159-8 | Ethanone, 1-(4-(2-methylpropyl)phenyl)- | HN39MC8KIO | InC

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504756179

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756179

Sourires canoniques

CC(C)CC1=CC=C(C=C1)C(=O)C

IUPAC Name

1-[4-(2-methylpropyl)phenyl]ethanone

InChIKey

KEAGRYYGYWZVPC-UHFFFAOYSA-N

INCHI

1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3

Isomères SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C

Poids moléculaire

176.26

Reaxy-Rn

1935275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Propriétés chimiques et physiques

• Solubilité: Miscible with chloroform and methanol. Slightly miscible with water.
• Sensibilité: Air & Light Sensitive
• Indice de réfraction: 1.52
• Point d'éclair (°F): 129°F
• Point d'éclair (°C): 54°C
• Point d'ébullition (°C): 268 °C
• Poids moléculaire: 176.250 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 164.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38861-78-8, the molecular formula is C12H16O, and the molecular weight is 176.26 g/mol. InChIKey KEAGRYYGYWZVPC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.