3,4-Dimethoxytoluene - ≥98% , CAS No.494-99-5

CAS: 494-99-5 Cat. No.: B135636 Formula: C₉H₁₂O₂ Peso molecolare: 152.19 Beilstein Registry Number: 6(4)5873 Numero EC: 207-796-0

GRADE & PURITY ≥98%

Synonyms

DTXSID8060088 | Q27256350 | EINECS 207-796-0 | NSC 7378 | Veratrole, 4-methyl- | Toluene,4-dimethoxy- | NSC7378 | NSC-7378 | AKOS000120780 | AS-15527 | 4 -methylveratrole | BDBM50008536 | FT-0614334 | UNII-349X0G2SSF | AC8401 | 4-METHYLCATECHOL DIMETHYL E

Storage

Room temperature

Shipped In

Normal

Panoramica

3,4-Dimethoxytoluene is the main component of essential oil isolated from Phoenix dactylifera L. It was selectively oxidized to the corresponding 1,4-benzoquinones in the presence of hydrogen peroxide/methyltrioxorhenium in 1-butyl-3-methylimidazolium tetrafluoroborate

Specifications

Sinonimi

DTXSID8060088 | Q27256350 | EINECS 207-796-0 | NSC 7378 | Veratrole, 4-methyl- | Toluene,4-dimethoxy- | NSC7378 | NSC-7378 | AKOS000120780 | AS-15527 | 4 -methylveratrole | BDBM50008536 | FT-0614334 | UNII-349X0G2SSF | AC8401 | 4-METHYLCATECHOL DIMETHYL E

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184087
• Sorrisi canonici: CC1=CC(=C(C=C1)OC)OC
• IUPAC Name: 1,2-dimethoxy-4-methylbenzene
• InChIKey: GYPMBQZAVBFUIZ-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
• Isomeri SMILES: CC1=CC(=C(C=C1)OC)OC
• Peso molecolare: 152.19
• Beilstein: 6(4)5873
• Reaxy-Rn: 2045328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045328&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Toluene - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive
• Indice di rifrazione: 1.528
• Punto di infiammabilità (°F): 183°F
• Punto di infiammabilità (°C): 84°C
• Punto di ebollizione (°C): 133-135 °C/50 mmHg
• Punto di fusione (°C): 22-23°C
• Peso molecolare: 152.190 g/mol
• XLogP3: 1.900
• 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

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 494-99-5, the molecular formula is C9H12O2, and the molecular weight is 152.19 g/mol. InChIKey GYPMBQZAVBFUIZ-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.