2-Isopropoxybenzaldehyde - ≥98% , CAS No.22921-58-0

CAS: 22921-58-0 Cat. No.: I478857 Summenformel: C₁₀H₁₂O₂ Molekulargewicht: 164.21 EG-Nummer: 672-090-5

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde,2-(1-methylethoxy)- | AKOS000249698 | FT-0678492 | 2-(propan-2-yloxy)benzaldehyde | MFCD01571834 | ZZJVNPRHHLLANO-UHFFFAOYSA-N | SY078847 | A4865 | Benzaldehyde, 2-(1-methylethoxy)- | Isopropylsalicylaldehyd | NS-01303 | o-isopropoxybenzaldeh

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

Benzaldehyde,2-(1-methylethoxy)- | AKOS000249698 | FT-0678492 | 2-(propan-2-yloxy)benzaldehyde | MFCD01571834 | ZZJVNPRHHLLANO-UHFFFAOYSA-N | SY078847 | A4865 | Benzaldehyde, 2-(1-methylethoxy)- | Isopropylsalicylaldehyd | NS-01303 | o-isopropoxybenzaldeh

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528756389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756389

Kanonisches Lächeln

CC(C)OC1=CC=CC=C1C=O

IUPAC Name

2-propan-2-yloxybenzaldehyde

InChIKey

ZZJVNPRHHLLANO-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-8H,1-2H3

Isomere SMILES

CC(C)OC1=CC=CC=C1C=O

Molekulargewicht

164.21

Reaxy-Rn

509349

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509349&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Molekulargewicht: 164.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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