Ethyl (3-Hydroxyphenyl)acetate - ≥98% , CAS No.22446-38-4

CAS: 22446-38-4 Cat. No.: E156516 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.2 Número CE: 834-774-3

GRADE & PURITY ≥98%

Synonyms

Acetic acid, (m-hydroxyphenyl)-, ethyl ester | ethyl 3-hydoxyphenylacetate | Benzeneacetic acid, 3-hydroxy-, ethyl ester | ethyl(3-hydroxyphenyl)acetate | E1242 | ETHYL 3-HYDROXYPHENYLACETATE | DS-8512 | 3-Hydroxyphenylacetic acid ethyl ester | Benzeneace

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Acetic acid, (m-hydroxyphenyl)-, ethyl ester | ethyl 3-hydoxyphenylacetate | Benzeneacetic acid, 3-hydroxy-, ethyl ester | ethyl(3-hydroxyphenyl)acetate | E1242 | ETHYL 3-HYDROXYPHENYLACETATE | DS-8512 | 3-Hydroxyphenylacetic acid ethyl ester | Benzeneace

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504759307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759307
• Sorrisos canónicos: CCOC(=O)CC1=CC(=CC=C1)O
• IUPAC Name: ethyl 2-(3-hydroxyphenyl)acetate
• InChIKey: NSQBADKMIYCCSC-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6,11H,2,7H2,1H3
• SMILES isoméricas: CCOC(=O)CC1=CC(=CC=C1)O
• Peso molecular: 180.2
• Reaxy-Rn: 2719258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719258&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids 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-4-unsubstituted benzenoid - 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
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-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

Propriedades químicas e físicas

• Sensibilidade: Moisture & light sensitive
• Índice de refração: 1.52
• Ponto de inflamação (°C): 124 °C
• Ponto de ebulição (°C): 179°C/12mmHg(lit.)
• Peso molecular: 180.200 g/mol
• XLogP3: 1.500
• 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: 168.000
• 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

Perguntas frequentes

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 22446-38-4, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey NSQBADKMIYCCSC-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.