2,5-Dimethylbenzaldehyde - ≥95% , CAS No.5779-94-2

CAS: 5779-94-2 Cat. No.: D301675 Summenformel: C₉H₁₀O Molekulargewicht: 134.18 EG-Nummer: 227-303-2

GRADE & PURITY ≥95%

Synonyms

6M224X1615 | AC-28485 | EN300-20658 | W-105442 | DTXSID0075449 | UNII-6M224X1615 | Isoxylaldehyde | YSWG666 | AKOS000120289 | MFCD00003342 | 2,5-Dimethylbenzaldehyde, 99% | A831605 | AS-58131 | 2,5-DIMETHYLBENZALDEHYDE | FT-0610453 | SY017911 | SCHEMBL268

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.

Specifications

Synonyme

6M224X1615 | AC-28485 | EN300-20658 | W-105442 | DTXSID0075449 | UNII-6M224X1615 | Isoxylaldehyde | YSWG666 | AKOS000120289 | MFCD00003342 | 2,5-Dimethylbenzaldehyde, 99% | A831605 | AS-58131 | 2,5-DIMETHYLBENZALDEHYDE | FT-0610453 | SY017911 | SCHEMBL268

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488182732
• Kanonisches Lächeln: CC1=CC(=C(C=C1)C)C=O
• IUPAC Name: 2,5-dimethylbenzaldehyde
• InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
• Isomere SMILES: CC1=CC(=C(C=C1)C)C=O
• Molekulargewicht: 134.18
• Reaxy-Rn: 1927303
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927303&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: p-Xylenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - Benzoyl - Benzaldehyde - Aryl-aldehyde - 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 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible in water.
• Empfindlichkeit: Air Sensitive
• Brechungsindex: n20/D 1.544
• Siedepunkt (°C): 104.5-106.5 °C/14 mmHg
• Molekulargewicht: 134.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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

Referenzen

1. Yuanyuan Huang, Jing Jin, Wei Cao, Yin Wang.  (2024)  Identification and Biotransformation of Volatile Markers During the Early Stage of Zygosaccharomyces rouxii and Zygosaccharomyces mellis Contamination in Acacia Honey.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39392611] [10.1021/acs.jafc.4c06157]

Häufig gestellte Fragen

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5779-94-2, the molecular formula is C9H10O, and the molecular weight is 134.18 g/mol. InChIKey SMUVABOERCFKRW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.