2-Methoxybenzaldehyde - ≥98% , CAS No.135-02-4

CAS: 135-02-4 Cat. No.: M106414 Molecular Weight: 136.15 Beilstein Registry Number: 606301 EC Number: 205-171-7

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 2-methoxy- | 2-Methoxybenzaldehyde, 98% | DTXSID1051690 | Formylanisole, o- | 0-anisaldehyde | A0479 | o-Anisaldehyde;2-Methoxybenzaldehyde | Q18465935 | 2-Anisaldehyde | 2-Methoxy benzaldehyde | EN300-16099 | o-Anisaldehyde, United States P

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-Methoxybenzaldehyde has been used to examine the acaricidal activity of Periploca sepium oil and its active component against Tyrophagus. It has also been used to obtain good enantioselectivities using Cu(OAc)(2)-bis(oxazolines) via hydrogen bonding in asymmetric Henry reaction.

Specifications

Synonyms

Benzaldehyde, 2-methoxy- | 2-Methoxybenzaldehyde, 98% | DTXSID1051690 | Formylanisole, o- | 0-anisaldehyde | A0479 | o-Anisaldehyde;2-Methoxybenzaldehyde | Q18465935 | 2-Anisaldehyde | 2-Methoxy benzaldehyde | EN300-16099 | o-Anisaldehyde, United States P

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Naturally-occurring aromatic aldehyde with acaricidal activity. May condense with L-tryptophan in foods to form the corresponding phenolic tetrahydro-β-carboline-3-carboxylic acid which is a potent antioxidant.

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751711
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751711
• Canonical Smiles: COC1=CC=CC=C1C=O
• IUPAC Name: 2-methoxybenzaldehyde
• InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
• Isomeric SMILES: COC1=CC=CC=C1C=O
• WGK Germany: 3
• RTECS: BZ2610000
• UN Number: 1988
• Molecular Weight: 136.15
• Beilstein: 606301
• Reaxy-Rn: 606301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606301&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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: 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

Associated Targets(Human)

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

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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

Associated Targets(non-human)

Meloidogyne incognita (862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: air sensitive
• Freezing Point(°C): 36 °C
• Refractive Index: 1.5608
• Flash Point(°F): 244.4 °F
• Flash Point(°C): 117 °C
• Boil Point(°C): 238°C
• Melt Point(°C): 34-40°C
• Molecular Weight: 136.150 g/mol
• XLogP3: 1.700
• 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

References

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