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

CAS: 5779-94-2 Cat. No.: D301675 Formule: C₉H₁₀O Poids moléculaire: 134.18 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488182732

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • 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: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Not miscible in water.
• Sensibilité: Air Sensitive
• Indice de réfraction: n20/D 1.544
• Point d'ébullition (°C): 104.5-106.5 °C/14 mmHg
• Poids moléculaire: 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

Foire aux questions

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.