Ethyl 4-hydroxyphenylacetate - ≥98% , CAS No.17138-28-2

CAS: 17138-28-2 Cat. No.: E115484 Summenformel: C₁₀H₁₂O₃ Molekulargewicht: 180.21 EG-Nummer: 241-197-5

GRADE & PURITY ≥98%

Synonyms

Acetic acid, (p-hydroxyphenyl)-, ethyl ester | InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H | P-Hydroxyphenyl Acetic Acid Ethyl Ester | A811326 | EINECS 241-197-5 | (4-Hydroxy-phenyl)-acetic acid ethylester | ethyl (4hydroxyphenyl)a

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

Acetic acid, (p-hydroxyphenyl)-, ethyl ester | InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H | P-Hydroxyphenyl Acetic Acid Ethyl Ester | A811326 | EINECS 241-197-5 | (4-Hydroxy-phenyl)-acetic acid ethylester | ethyl (4hydroxyphenyl)a

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183078
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183078
• Kanonisches Lächeln: CCOC(=O)CC1=CC=C(C=C1)O
• IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate
• InChIKey: HYUPPKVFCGIMDB-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
• Isomere SMILES: CCOC(=O)CC1=CC=C(C=C1)O
• Molekulargewicht: 180.21
• Reaxy-Rn: 2614627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614627&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Hygroscopic;Moisture sensitive
• Brechungsindex: 1.52
• Siedepunkt (°C): 145°C/0.2mmHg
• Schmelzpunkt (°C): 36-38°C
• Molekulargewicht: 180.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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