3-Méthoxybenzaldéhydes - ≥98% , CAS No.591-31-1

CAS: 591-31-1 Cat. No.: M106420 Formule: C₈H₈O₂ Poids moléculaire: 136.15 Beilstein Registry Number: 606013 Numéro CE: 209-712-8

GRADE & PURITY ≥98%

Synonyms

Tox21_302136 | F2190-0576 | META-ANISALDEHYDE | 3-Methoxybenzaldehyde | AC-2427 | m-Methoxybenzaldehyde | STR00150 | m-Methoxy benzaldehyde | STK397887 | m-Anisaldehyde, purum, >=97.0% (GC) | NSC 43794 | AM87084 | A832179 | MFCD00003361 | 3-(methyloxy)ben

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

Description du produit

Le M-formaldéhyde a une activité antifongique significative contre les Candida, y compris les souches résistantes aux azoles.

Application du produit

Dans la chromatographie sur gel de silice en phase normale, le m-anisaldéhyde peut être utilisé comme éluant de l'isotope mono-13c de la vanilline. Il est également utilisé comme inhibiteur du métabolisme de la 4 - (méthylnitrosamine) - 1 - (3-pyridyl) - 1-butanone (NNK).

Specifications

Synonymes

Tox21_302136 | F2190-0576 | META-ANISALDEHYDE | 3-Methoxybenzaldehyde | AC-2427 | m-Methoxybenzaldehyde | STR00150 | m-Methoxy benzaldehyde | STK397887 | m-Anisaldehyde, purum, >=97.0% (GC) | NSC 43794 | AM87084 | A832179 | MFCD00003361 | 3-(methyloxy)ben

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752159

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752159

Sourires canoniques

COC1=CC=CC(=C1)C=O

IUPAC Name

3-methoxybenzaldehyde

InChIKey

WMPDAIZRQDCGFH-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3

Isomères SMILES

COC1=CC=CC(=C1)C=O

WGK Allemagne

3

RTECS

BZ2605000

Poids moléculaire

136.15

Beilstein

606013

Reaxy-Rn

606013

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606013&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 Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzaldehyde - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - 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: a small molecule

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

Cibles associées (humaines)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol, and ether. Insoluble in water.
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.553
• Point d'éclair (°C): 110°C
• Point d'ébullition (°C): 230°C
• Poids moléculaire: 136.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 591-31-1, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey WMPDAIZRQDCGFH-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.