2,5-Dimethoxytoluene - ≥98%(GC) , CAS No.24599-58-4

CAS: 24599-58-4 Cat. No.: D155374 Formula: C₉H₁₂O₂ Molecular Weight: 152.19 Beilstein Registry Number: 6(4)5867 EC Number: 246-343-1

GRADE & PURITY ≥98%(GC)

Synonyms

Benzene,4-dimethoxy-2-methyl- | 5-bromo-2-fluoro-benzonitrile | FT-0610415 | METHYLHYDROQUINONE DIMETHYL ETHER | Toluene, 2,5-dimethoxy- | 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane tetrafluoroborate | (+)-2-heptanol | 1,4-Dimethoxy-2-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzene,4-dimethoxy-2-methyl- | 5-bromo-2-fluoro-benzonitrile | FT-0610415 | METHYLHYDROQUINONE DIMETHYL ETHER | Toluene, 2,5-dimethoxy- | 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane tetrafluoroborate | (+)-2-heptanol | 1,4-Dimethoxy-2-meth

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488186628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186628

Canonical Smiles

CC1=C(C=CC(=C1)OC)OC

IUPAC Name

1,4-dimethoxy-2-methylbenzene

InChIKey

IQISOVKPFBLQIQ-UHFFFAOYSA-N

INCHI

1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)OC

WGK Germany

3

Molecular Weight

152.19

Beilstein

6(4)5867

Reaxy-Rn

2045336

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045336&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Toluene - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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

Chemical and Physical Properties

• Refractive Index: 1.52
• Flash Point(°F): 215.6 °F
• Flash Point(°C): 102°C(lit.)
• Boil Point(°C): 218°C(lit.)
• Molecular Weight: 152.190 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 24599-58-4, the molecular formula is C9H12O2, and the molecular weight is 152.19 g/mol. InChIKey IQISOVKPFBLQIQ-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.