o-Tolualdehyde - ≥98%(GC) , CAS No.529-20-4

CAS: 529-20-4 Cat. No.: O159892 Formula: C₈H₈O Peso molecolare: 120.15 Beilstein Registry Number: 605841 Numero EC: 208-452-2

GRADE & PURITY ≥98%(GC)

Synonyms

MLS002152916 | DTXSID1022051 | NCGC00091709-02 | O-TOLUALDEHYDE [MI] | UNII-Q7E5H6W6BG | BDBM85648 | NSC 103152 | STR03092 | 2-Tolualdehyde | o-Tolualdehyde, 97% | o-Tolualdehyde-13C1 (carbonyl-13C) | SMR001224516 | EINECS 208-452-2 | o-Methylbenazldehyde

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

o-tolualdehyde undergoes atmospheric degradation by direct photolysis by sunlight.

o-tolualdehyde was used in determination of alkenal-2,4-dinitrophenylhydrazones by HPLC by addition of phosphoric acid. It produces to give a single diastereomer of the tetrahydronaphthalene derivative under UV irradiation.

Specifications

Sinonimi

MLS002152916 | DTXSID1022051 | NCGC00091709-02 | O-TOLUALDEHYDE [MI] | UNII-Q7E5H6W6BG | BDBM85648 | NSC 103152 | STR03092 | 2-Tolualdehyde | o-Tolualdehyde, 97% | o-Tolualdehyde-13C1 (carbonyl-13C) | SMR001224516 | EINECS 208-452-2 | o-Methylbenazldehyde

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488181172

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181172

Sorrisi canonici

CC1=CC=CC=C1C=O

IUPAC Name

2-methylbenzaldehyde

InChIKey

BTFQKIATRPGRBS-UHFFFAOYSA-N

INCHI

1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3

Isomeri SMILES

CC1=CC=CC=C1C=O

WGK Germania

3

Peso molecolare

120.15

Beilstein

605841

Reaxy-Rn

605841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605841&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: Benzaldehydes Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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: tolualdehyde

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in carbon tetrachloride, ethanol, ethyl ether, benzene. Not miscible in water.
• Sensibilità: Air sensitive;Light sensitive
• Indice di rifrazione: 1.546
• Punto di infiammabilità (°F): 170.6 °F
• Punto di infiammabilità (°C): 67°C(lit.)
• Punto di ebollizione (°C): 200°C
• Punto di fusione (°C): -35°C
• Peso molecolare: 120.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.700
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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.

How is this product shipped?

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

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

The CAS Number is 529-20-4, the molecular formula is C8H8O, and the molecular weight is 120.15 g/mol. InChIKey BTFQKIATRPGRBS-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.