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

CAS: 5497-67-6 Cat. No.: D299504 Formula: C₇H₁₂O Peso molecolare: 112.17 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥88%, contains 1000 ppm hydroquinone as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥88%

Nomi e identificatori

Pubchem Sid

508807584

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Organic oxides

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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di infiammabilità (°F): 64.4 °F
• Punto di infiammabilità (°C): 18 °C
• Punto di ebollizione (°C): 124-125°C
• Peso molecolare: 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