Veratryl Alcohol - 10mM in DMSO , CAS No.93-03-8

CAS: 93-03-8 Cat. No.: V426970 Peso molecular: 168.19 Beilstein Registry Number: 61113 Número EC: 202-212-0 PubChem CID: 7118

GRADE & PURITY 10mM in DMSO

Synonyms

dimethoxybenzyl alcohol | VERATRYL ALCOHOL [INCI] | NSC6317 | NSC-6317 | (3,4-Dimethoxyphenyl)methanol # | [3,4-bis(methyloxy)phenyl]methanol | 3,4-Dimethoxyphenylmethyl alcohol | veratrole alcohol | VERATRYL ALCOHOL | DIMETHOXYBENZYL ALCOHOL [INCI] | F00

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

dimethoxybenzyl alcohol | VERATRYL ALCOHOL [INCI] | NSC6317 | NSC-6317 | (3, 4-Dimethoxyphenyl)methanol # | [3, 4-bis(methyloxy)phenyl]methanol | 3, 4-Dimethoxyphenylmethyl alcohol | veratrole alcohol | VERATRYL ALCOHOL | DIMETHOXYBENZYL ALCOHOL [INCI] | F00

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)CO)OC
• IUPAC Name: (3,4-dimethoxyphenyl)methanol
• InChIKey: OEGPRYNGFWGMMV-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
• Isómeros SMILES: COC1=C(C=C(C=C1)CO)OC
• PubChem CID: 7118
• Peso molecular: 168.19
• Beilstein: 61113
• Reaxy-Rn: 639388

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzyl alcohols Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Benzyl alcohol - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: an aromatic compound

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.5530
• Punto de inflamación (°C): 113 °C - closed cup
• Punto de ebullición (°C): 173°C/14mmHg(lit.)
• Punto de fusión (°C): 22°C
• Peso molecular: 168.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.079 Da
• Monoisotopic Mass: 168.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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

Referencias

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