p-Methyl benzaldehyde - ≥97% , CAS No.104-87-0

CAS: 104-87-0 Cat. No.: M105910 Summenformel: C₈H₈O Molekulargewicht: 120.15 Beilstein Registry Number: 385772 EG-Nummer: 203-246-9

GRADE & PURITY ≥97%

Synonyms

CAS-104-87-0 | 4-methylbenzaldehyde;p-Tolualdehyde | p-Tolualdehyde | p-tolu-aldehyde | TOLUALDEHYDE, P- | Benzaldehyde, 4-methyl- | FEMA NO. 3068, P- | PTAL | p-Tolualdehyde, 97% | p-Tolylaldehyde | CHEBI:28617 | SCHEMBL29171 | C06758 | EN300-20307 | p-m

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

CAS-104-87-0 | 4-methylbenzaldehyde;p-Tolualdehyde | p-Tolualdehyde | p-tolu-aldehyde | TOLUALDEHYDE, P- | Benzaldehyde, 4-methyl- | FEMA NO. 3068, P- | PTAL | p-Tolualdehyde, 97% | p-Tolylaldehyde | CHEBI:28617 | SCHEMBL29171 | C06758 | EN300-20307 | p-m

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488180541

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180541

Kanonisches Lächeln

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

IUPAC Name

4-methylbenzaldehyde

InChIKey

FXLOVSHXALFLKQ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

WGK Deutschland

1

RTECS

CU7034500

UN-Nummer

1988

Molekulargewicht

120.15

Beilstein

385772

Reaxy-Rn

385772

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385772&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: 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
• 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: an aryl aldehyde

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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Cyp2a5 Cytochrome P450 2A5 (126 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water, easily soluble in alcohol and ether.
• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.542-1.548
• Flammpunkt (°F): 161.6 °F
• Flammpunkt (°C): 80℃
• Siedepunkt (°C): 204-205°C
• Schmelzpunkt (°C): -6°C
• Molekulargewicht: 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: 90.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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.

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 104-87-0, the molecular formula is C8H8O, and the molecular weight is 120.15 g/mol. InChIKey FXLOVSHXALFLKQ-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.