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

CAS: 91-10-1 Cat. No.: D128348 分子式: C₈H₁₀O₃ 分子量: 154.16 Beilstein Registry Number: 1526871 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504751231

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

SL0900000

分子量

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
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water.
• 感度: Air Sensitive；light sensitive
• 引火点（°F）: 140°C(284°F)
• 引火点（°C）: 140°C(284°F)
• 沸点（°C）: 263°C
• 融点（°C）: 54.0-57.0°C
• 分子量: 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