1,2,3-Trimethoxybenzene - ≥98% , CAS No.634-36-6

CAS: 634-36-6 Cat. No.: T107440 Formula: C₉H₁₂O₃ Peso molecolare: 168.19 Beilstein Registry Number: 1910422 Numero EC: 211-207-2 PubChem CID: 12462

GRADE & PURITY ≥98%

Synonyms

InChI=1/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 | EINECS 211-207-2 | T1102 | UNII-MRE1O894FG | 1,2,3-TRIMETHOXYBENZENE | 1,2,3-trimethoxy-benzene | AKOS000120025 | Methylsyringol (VAN) | Trimethoxybenzene | Pyrogallol trimethyl ether | SY036393

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

InChI=1/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 | EINECS 211-207-2 | T1102 | UNII-MRE1O894FG | 1,2,3-TRIMETHOXYBENZENE | 1,2,3-trimethoxy-benzene | AKOS000120025 | Methylsyringol (VAN) | Trimethoxybenzene | Pyrogallol trimethyl ether | SY036393

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181673

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181673

Sorrisi canonici

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

IUPAC Name

1,2,3-trimethoxybenzene

InChIKey

CRUILBNAQILVHZ-UHFFFAOYSA-N

INCHI

1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3

Isomeri SMILES

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

WGK Germania

3

PubChem CID

12462

Peso molecolare

168.19

Beilstein

1910422

Reaxy-Rn

1910422

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: methoxybenzene

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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 110℃
• Punto di ebollizione (°C): 241°C
• Punto di fusione (°C): 45°C
• Peso molecolare: 168.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.079 Da
• Monoisotopic Mass: 168.079 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 634-36-6, the molecular formula is C9H12O3, and the molecular weight is 168.19 g/mol. InChIKey CRUILBNAQILVHZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.