3,4-Dimethyl-3-cyclohexenecarboxaldehyde - ≥98%(GC) , CAS No.18022-66-7

CAS: 18022-66-7 Cat. No.: D155258 Formula: C₉H₁₄O Peso molecolare: 138.21 Numero EC: 803-195-8

GRADE & PURITY ≥98%(GC)

Synonyms

3,4-Dimethyl-3-cyclohexenylmethanal|18022-66-7|3,4-dimethylcyclohex-3-ene-1-carbaldehyde|3,4-Dimethyl-3-cyclohexenecarboxaldehyde|3-Cyclohexen-1-carboxaldehyde, 3,4-dimethyl-|SCHEMBL6905356|DTXSID80336955|NOJNKSAQZMVMFF-UHFFFAOYSA-N|1,2-dimethyl-4-formyl-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3,4-Dimethyl-3-cyclohexenylmethanal | 18022-66-7 | 3,4-dimethylcyclohex-3-ene-1-carbaldehyde | 3,4-Dimethyl-3-cyclohexenecarboxaldehyde | 3-Cyclohexen-1-carboxaldehyde, 3,4-dimethyl- | SCHEMBL6905356 | DTXSID80336955 | NOJNKSAQZMVMFF-UHFFFAOYSA-N | 1,2-dimethyl-4-formyl-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥98%(GC)

Nomi e identificatori

• Sorrisi canonici: CC1=C(CC(CC1)C=O)C
• IUPAC Name: 3,4-dimethylcyclohex-3-ene-1-carbaldehyde
• InChIKey: NOJNKSAQZMVMFF-UHFFFAOYSA-N
• INCHI: 1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3
• Isomeri SMILES: CC1=C(CC(CC1)C=O)C
• Peso molecolare: 138.21
• Reaxy-Rn: 2040252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040252&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 homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic 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

• Punto di ebollizione (°C): 79°C/10mmHg(lit.)
• Peso molecolare: 138.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104 Da
• Monoisotopic Mass: 138.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1