Isobutyraldehyde - Distillation grade, ≥99.5% , CAS No.78-84-2

CAS: 78-84-2 Cat. No.: I434189 Formula: C₄H₈O Peso molecolare: 72.11 Beilstein Registry Number: 605330 Numero EC: 201-149-6

QUALITÀ & PUREZZA Distillation grade, ≥99.5%

Synonyms

2-methylpropanal (isobutanal) | EN300-19563 | 2-methypropanal | UN 2045 | alpha -methylpropionaldehyde | HSDB 614 | Isobutyraldehyde, dry, 98% | so-Butyl aldehyde | Isobutyraldehyde, 98% | NCGC00091788-02 | 2-Methyl-1-propanal | Isobutyryl aldehyde | Buty

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Panoramica

Application

Isobutyraldehyde has been used to investigate the renewable production of isobutyraldehyde from engineered Escherichia coli . It is also used as reagent during the epoxidation of cis -cyclooctene on iron complexed to acetylacetonate (acac)/silica xerogel.

Specifiche

Sinonimi

2-methylpropanal (isobutanal) | EN300-19563 | 2-methypropanal | UN 2045 | alpha -methylpropionaldehyde | HSDB 614 | Isobutyraldehyde, dry, 98% | so-Butyl aldehyde | Isobutyraldehyde, 98% | NCGC00091788-02 | 2-Methyl-1-propanal | Isobutyryl aldehyde | Buty

Specifiche e purezza

Distillation grade, ≥99.5%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Distillation grade

Purezza

≥99.5%

Nomi e identificatori

Pubchem Sid

528771694

Sorrisi canonici

CC(C)C=O

IUPAC Name

2-methylpropanal

InChIKey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

INCHI

1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

Isomeri SMILES

CC(C)C=O

WGK Germania

1

RTECS

NQ4025000

Numero UN

2045

Gruppo di imballaggio

II

Peso molecolare

72.11

Beilstein

605330

Reaxy-Rn

605330

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Short-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Short-chain aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms.
• External Descriptors: an n-alkanal

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 60g/L at25°C
• Indice di rifrazione: 1.373
• Punto di infiammabilità (°F): -11.2 °F
• Punto di infiammabilità (°C): -24℃
• Punto di ebollizione (°C): 64°C
• Punto di fusione (°C): -65.9°C
• Peso molecolare: 72.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 72.0575 Da
• Monoisotopic Mass: 72.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.600
• 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