2-metossi-6-metilbenzaldeide - ≥97% , CAS No.54884-55-8

CAS: 54884-55-8 Cat. No.: M193878 Formula: C₉H₁₀O₂ Peso molecolare: 150.17 Numero EC: 831-680-4

GRADE & PURITY ≥97%

Synonyms

A870329 | DTXSID70348709 | MFCD08235006 | benzaldehyde, 2-methoxy-6-methyl- | SCHEMBL953118 | BB 0244703 | EN300-227124 | FT-0766482 | 6-methyl-o-anisaldehyde | 2-methoxy-6-methylbenzaldehyde | 2-methoxy-6-methyl-benzaldehyde | QLUHWZADTAIBKK-UHFFFAOYSA-N

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

A870329 | DTXSID70348709 | MFCD08235006 | benzaldehyde, 2-methoxy-6-methyl- | SCHEMBL953118 | BB 0244703 | EN300-227124 | FT-0766482 | 6-methyl-o-anisaldehyde | 2-methoxy-6-methylbenzaldehyde | 2-methoxy-6-methyl-benzaldehyde | QLUHWZADTAIBKK-UHFFFAOYSA-N

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥97%

Product Line

M193878-100mg

Nomi e identificatori

Pubchem Sid

528757428

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757428

Sorrisi canonici

CC1=C(C(=CC=C1)OC)C=O

IUPAC Name

2-methoxy-6-methylbenzaldehyde

InChIKey

QLUHWZADTAIBKK-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-6H,1-2H3

Isomeri SMILES

CC1=C(C(=CC=C1)OC)C=O

Peso molecolare

150.17

Reaxy-Rn

2326390

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Toluenes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Toluene - Aryl-aldehyde - Alkyl aryl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Peso molecolare: 150.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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