2,2-Dimethyl-4-pentenal - ≥88%, contains 1000 ppm hydroquinone as stabilizer , CAS No.5497-67-6

CAS: 5497-67-6 Cat. No.: D299504 Summenformel: C₇H₁₂O Molekulargewicht: 112.17 EG-Nummer: 226-834-7

GRADE & PURITY ≥88%, contains 1000 ppm hydroquinone as stabilizer

Synonyms

2,2-Dimethyl-4-pentenal|5497-67-6|2,2-Dimethylpent-4-enal|4-Pentenal, 2,2-dimethyl-|2,2-dimethyl-pent-4-enal|AI3-28334|NSC-14676|2,2-dimethyl-4-pentenaldehyde|NSC14676|EINECS 226-834-7|2,2-dimethyl4-pentenal|4-Pentenal,2-dimethyl-|2,2-dimethy-4-pentenal|S

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2,2-Dimethyl-4-pentenal | 5497-67-6 | 2,2-Dimethylpent-4-enal | 4-Pentenal, 2,2-dimethyl- | 2,2-dimethyl-pent-4-enal | AI3-28334 | NSC-14676 | 2,2-dimethyl-4-pentenaldehyde | NSC14676 | EINECS 226-834-7 | 2,2-dimethyl4-pentenal | 4-Pentenal,2-dimethyl- | 2,2-dimethy-4-pentenal | S

Spezifikationen & Reinheit

≥88%, contains 1000 ppm hydroquinone as stabilizer

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥88%

Namen und Kennungen

Pubchem Sid

508807584

Kanonisches Lächeln

CC(C)(CC=C)C=O

IUPAC Name

2,2-dimethylpent-4-enal

InChIKey

DXSDIWHOOOBQTJ-UHFFFAOYSA-N

INCHI

1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3

Isomere SMILES

CC(C)(CC=C)C=O

Molekulargewicht

112.17

Reaxy-Rn

1699095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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: Air sensitive
• Flammpunkt (°F): 64.4 °F
• Flammpunkt (°C): 18 °C
• Siedepunkt (°C): 124-125°C
• Molekulargewicht: 112.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.600
• 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