Sesamol - 10mM in DMSO , CAS No.533-31-3

CAS: 533-31-3 Cat. No.: S424564 Formule: C₇H₆O₃ Poids moléculaire: 138.12 Beilstein Registry Number: 127405 Numéro CE: 208-561-5 PubChem CID: 68289

GRADE & PURITY 10mM in DMSO

Synonyms

A25062 | SCHEMBL20959 | SDCCGMLS-0066221.P001 | SY015819 | CCRIS 1386 | F0001-1376 | sesamol sodium | CAS-533-31-3 | CCG-266144 | CHEBI:9126 | 5-Hydroxy-1,3-benzodioxole | BDBM36291 | NSC 59256 | Sesamol | (3,4-methylenedioxy)phenol | 3,4-Methylenedioxyph

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

application：

Sesamol has good antioxidant activity. Sesamol has potential protective effects against free radicals as well as some antifungal activity. Sesamol can also be used as an intermediate in the preparation of antidepressants such as Paroxetine (P205750). Sesamol has been found to be an antioxidant that may prevent the spoilage of oils. It also may prevent the spoilage of oils by acting as an antifungal. It is also used in ayurvedic Medicine.

Specifications

Synonymes

A25062 | SCHEMBL20959 | SDCCGMLS-0066221.P001 | SY015819 | CCRIS 1386 | F0001-1376 | sesamol sodium | CAS-533-31-3 | CCG-266144 | CHEBI:9126 | 5-Hydroxy-1,3-benzodioxole | BDBM36291 | NSC 59256 | Sesamol | (3,4-methylenedioxy)phenol | 3,4-Methylenedioxyph

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528775108
• Sourires canoniques: C1OC2=C(O1)C=C(C=C2)O
• IUPAC Name: 1,3-benzodioxol-5-ol
• InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
• INCHI: 1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
• Isomères SMILES: C1OC2=C(O1)C=C(C=C2)O
• WGK Allemagne: 3
• RTECS: SM0890000
• PubChem CID: 68289
• Poids moléculaire: 138.12
• Beilstein: 127405
• Reaxy-Rn: 127405

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: benzodioxoles

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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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Sensitive to light; sensitive to air
• Point d'ébullition (°C): 113°C/2mmHg
• Point de fusion (°C): 63-65°C
• Poids moléculaire: 138.120 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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