4-(2-Hydroxyethoxy)benzoic Acid Methyl Ester - ≥98%(GC) , CAS No.3204-73-7

CAS: 3204-73-7 Cat. No.: H140388 Summenformel: C₁₀H₁₂O₄ Molekulargewicht: 196.20 Beilstein Registry Number: 10(4)362 EG-Nummer: 221-708-8

GRADE & PURITY ≥98%(GC)

Synonyms

Methyl p-(2-hydroxyethoxy)benzoate | Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester | Methyl4-(2-Hydroxyethoxy)benzoate | 9XG5332XHD | EINECS 221-708-8 | MFCD00075872 | Methyl 4-(2-hydroxyethoxy)benzoate | 4-(2-Hydroxyethoxy)benzoic Acid Methyl Ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Methyl p-(2-hydroxyethoxy)benzoate | Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester | Methyl4-(2-Hydroxyethoxy)benzoate | 9XG5332XHD | EINECS 221-708-8 | MFCD00075872 | Methyl 4-(2-hydroxyethoxy)benzoate | 4-(2-Hydroxyethoxy)benzoic Acid Methyl Ester

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

508809234

Kanonisches Lächeln

COC(=O)C1=CC=C(C=C1)OCCO

IUPAC Name

methyl 4-(2-hydroxyethoxy)benzoate

InChIKey

VFBYWNSASHHPPA-UHFFFAOYSA-N

INCHI

1S/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3

Isomere SMILES

COC(=O)C1=CC=C(C=C1)OCCO

Molekulargewicht

196.20

Beilstein

10(4)362

Reaxy-Rn

2722406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2722406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 65.0-69.0C°
• Molekulargewicht: 196.200 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 173.000
• 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