4-Methoxybenzyl alcohol - ≥98% , CAS No.105-13-5

CAS: 105-13-5 Cat. No.: M107568 Molecular Weight: 138.16 Beilstein Registry Number: 636654 EC Number: 203-273-6

GRADE & PURITY ≥98%

Synonyms

7N6XGV3U49 | MFCD00004653 | 4-06-00-05909 (Beilstein Handbook Reference) | Z54603098 | 4-METHOXY-[7-13C]-BENZYL ALCOHOL | Anisyl alcohol | JandaJel(TM)-Wang, 100-200 mesh, extent of labeling: 1.0 mmol/g loading, 2 % cross-linked | (4-(METHYLOXY)PHENYL)MET

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

4-Methoxybenzyl alcohol on condensation with the silanol groups of fumed silica nanoparticles yields modified silica nanoparticles[1]. It undergoes catalytic photooxidation by flavin-zinc(II)-cyclen complex to yield the corresponding benzaldehyde.

Specifications

Synonyms

7N6XGV3U49 | MFCD00004653 | 4-06-00-05909 (Beilstein Handbook Reference) | Z54603098 | 4-METHOXY-[7-13C]-BENZYL ALCOHOL | Anisyl alcohol | JandaJel(TM)-Wang, 100-200 mesh, extent of labeling: 1.0 mmol/g loading, 2 % cross-linked | (4-(METHYLOXY)PHENYL)MET

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751440
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751440
• Canonical Smiles: COC1=CC=C(C=C1)CO
• IUPAC Name: (4-methoxyphenyl)methanol
• InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)CO
• WGK Germany: 1
• RTECS: DO8925000
• Molecular Weight: 138.16
• Beilstein: 636654
• Reaxy-Rn: 636654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636654&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Phenol ether - Benzyl alcohol - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• External Descriptors: benzyl alcohols

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)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Associated Targets(non-human)

Plasmodium falciparum (966862 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: Soluble in water, chloroform, ethyl acetate.
• Freezing Point(°C): 24 °C
• Refractive Index: 1.543-1.546
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 146 °C
• Boil Point(°C): 259°C
• Melt Point(°C): 23-25.5°C
• Molecular Weight: 138.160 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 85.300
• 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

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