3，5-Dimethoxyphenol - 10mM in DMSO , CAS No.500-99-2

CAS: 500-99-2 Cat. No.: D424318 Formule: C₈H₁₀O₃ Poids moléculaire: 154.17 Beilstein Registry Number: 61101 Numéro CE: 207-917-7

GRADE & PURITY 10mM in DMSO

Synonyms

HY-W001117 | s6071 | 23UXW8136A | AC-11324 | UNII-23UXW8136A | W-105986 | 3,5-Dimethoxyphenol | 3,5-dimethoxy-phenol | Phenol,5-dimethoxy- | InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H | A827974 | 3,5-dimethoxy phenol | EINECS 207-917-7 | 1-Hy

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

3,5-Dimethoxyphenol is a phenol derivative that has been used to stucy iron porphyrin phenoxides.
It was used to develop a new analytical method using LC-MS that enables the simultaneous identification and quantification of new alkaloids and the alkaloidal diterpenoids.And it has been used in a study on iron porphyrin phenoxides.

Specifications

Synonymes

HY-W001117 | s6071 | 23UXW8136A | AC-11324 | UNII-23UXW8136A | W-105986 | 3,5-Dimethoxyphenol | 3,5-dimethoxy-phenol | Phenol,5-dimethoxy- | InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H | A827974 | 3,5-dimethoxy phenol | EINECS 207-917-7 | 1-Hy

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: 528758019
• Sourires canoniques: COC1=CC(=CC(=C1)O)OC
• IUPAC Name: 3,5-dimethoxyphenol
• InChIKey: XQDNFAMOIPNVES-UHFFFAOYSA-N
• INCHI: 1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
• Isomères SMILES: COC1=CC(=CC(=C1)O)OC
• WGK Allemagne: 3
• Poids moléculaire: 154.17
• Beilstein: 61101
• Reaxy-Rn: 1239156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1239156&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive. &air sensitive&light sensitive
• Point d'ébullition (°C): 160 °C/15 mmHg
• Point de fusion (°C): 45 °C
• Poids moléculaire: 154.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• 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

Références

1. Hongchao Yan, Yuan Qiu, Jing Wang, Qian Jiang, Hong Wang, Yonggui Liao, Xiaolin Xie.  (2020)  Wholly Visible-Light-Responsive Host–Guest Supramolecular Gels Based on Methoxy Azobenzene and β-Cyclodextrin Dimers.  LANGMUIR,      [PMID:32486643] [10.1021/acs.langmuir.0c00964]