2,6-Dimethoxyphenol - ≥98% , CAS No.91-10-1

CAS: 91-10-1 Cat. No.: D128348 Fórmula: C₈H₁₀O₃ Peso molecular: 154.16 Beilstein Registry Number: 1526871 Número CE: 202-041-1

GRADE & PURITY ≥98%

Synonyms

AKOS000120263 | FT-0631436 | 2,6-Dimethoxyphenol, >=98%, FG | 4UQT464H8K | Pyrogallol 1,3-dimethyl ether | FEMA 3137 | DTXCID0031180 | Pyrogallol dimethylether | Q421420 | 2,6-Dimethoxyphenol (syringol) | Tox21_303953 | 2,6-Dimethoxyphenol, analytical sta

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Product Application：

It is used in smoke flavors, whisky, rum, tea, spice, savory, seafood, meat, liquorices, coffee, and nut flavors. It is reported to be the single most important flavor chemical in smoke flavors.

Specifications

Sinónimos

AKOS000120263 | FT-0631436 | 2,6-Dimethoxyphenol, >=98%, FG | 4UQT464H8K | Pyrogallol 1,3-dimethyl ether | FEMA 3137 | DTXCID0031180 | Pyrogallol dimethylether | Q421420 | 2,6-Dimethoxyphenol (syringol) | Tox21_303953 | 2,6-Dimethoxyphenol, analytical sta

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751231

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751231

Sorrisos canónicos

COC1=C(C(=CC=C1)OC)O

IUPAC Name

2,6-dimethoxyphenol

InChIKey

KLIDCXVFHGNTTM-UHFFFAOYSA-N

INCHI

1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

SMILES isoméricas

COC1=C(C(=CC=C1)OC)O

WGK Alemanha

3

RTECS

SL0900000

Peso molecular

154.16

Beilstein

1526871

Reaxy-Rn

1526871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526871&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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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Xenopus laevis (337 Activities)

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Mus musculus (284745 Activities)

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L1210 (27553 Activities)

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Lasiodiplodia theobromae (193 Activities)

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Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)

Discover Target: Gabrg2

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Diplodia seriata (145 Activities)

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Botryosphaeria dothidea (71 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: Air Sensitive；light sensitive
• Ponto de inflamação (°F): 140°C(284°F)
• Ponto de inflamação (°C): 140°C(284°F)
• Ponto de ebulição (°C): 263°C
• Ponto de fusão (°C): 54.0-57.0°C
• Peso molecular: 154.160 g/mol
• XLogP3: 1.100
• 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