Trimethylacetaldehyde - ≥96% , CAS No.630-19-3

CAS: 630-19-3 Cat. No.: T106594 Formula: C₅H₁₀O Peso molecolare: 86.13 Beilstein Registry Number: 506060 Numero EC: 211-134-6 PubChem CID: 12417

GRADE & PURITY ≥96%

Synonyms

InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H | Trimethylacetaldehyde | trimethyl-acetaldehyde | EN300-53815 | J-523980 | Q2097441 | NEOPENTALDEHYDE | STR05593 | Trimethyl acetaldehyde | 2,2-Dimethylpropanal | AKOS009143619 | P0847 | tert-Valeraldehyde | NSC-22043

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H | Trimethylacetaldehyde | trimethyl-acetaldehyde | EN300-53815 | J-523980 | Q2097441 | NEOPENTALDEHYDE | STR05593 | Trimethyl acetaldehyde | 2,2-Dimethylpropanal | AKOS009143619 | P0847 | tert-Valeraldehyde | NSC-22043

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 504752337
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752337
• Sorrisi canonici: CC(C)(C)C=O
• IUPAC Name: 2,2-dimethylpropanal
• InChIKey: FJJYHTVHBVXEEQ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
• Isomeri SMILES: CC(C)(C)C=O
• WGK Germania: 3
• PubChem CID: 12417
• Numero UN: 1989
• Peso molecolare: 86.13
• Beilstein: 506060
• Reaxy-Rn: 506060

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: a small molecule

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

• Solubilità: It is virtually insoluble in water but soluble in chloroform.
• Sensibilità: Heat sensitive;Air sensitive;Light sensitive
• Indice di rifrazione: 1.3780 to 1.3810
• Punto di infiammabilità (°F): 20°C
• Punto di infiammabilità (°C): 20°C
• Punto di ebollizione (°C): 75°C
• Punto di fusione (°C): 6°C
• Peso molecolare: 86.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.400
• 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