2-(2,4-dimethoxyphenyl)ethanol - Reagent grade , CAS No.13398-65-7

CAS: 13398-65-7 Cat. No.: D478674 Formula: C₁₀H₁₄O₃ Peso molecolare: 182.22

GRADE & PURITY Reagent Grade

Synonyms

DTXSID30295427 | F11610 | AKOS012095660 | EN300-1635478 | 2-(2,4-dimethoxyphenyl)ethan-1-ol | 2-(2,4-dimethoxyphenyl)ethanol | SCHEMBL48353 | 2-(2,4-dimethoxyphenyl)ethanol, AldrichCPR | NCIOpen2_001663 | 2,4-Dimethoxyphenylmethyl carbinol | 2,4-Dimethoxy

Storage

Room temperature

Specifications

Sinonimi

DTXSID30295427 | F11610 | AKOS012095660 | EN300-1635478 | 2-(2,4-dimethoxyphenyl)ethan-1-ol | 2-(2,4-dimethoxyphenyl)ethanol | SCHEMBL48353 | 2-(2,4-dimethoxyphenyl)ethanol, AldrichCPR | NCIOpen2_001663 | 2,4-Dimethoxyphenylmethyl carbinol | 2,4-Dimethoxy

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

2-(2,4-dimethoxyphenyl)ethanol

InChIKey

JTSXVCOZAMRSNY-UHFFFAOYSA-N

INCHI

1S/C10H14O3/c1-12-9-4-3-8(5-6-11)10(7-9)13-2/h3-4,7,11H,5-6H2,1-2H3

Isomeri SMILES

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

Peso molecolare

182.22

Reaxy-Rn

2096872

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols and derivatives
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Tyrosol derivative - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 182.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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 does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 13398-65-7, the molecular formula is C10H14O3, and the molecular weight is 182.22 g/mol. InChIKey JTSXVCOZAMRSNY-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.